SCHEMBL10165778

SCHEMBL10165778

CC(C)(C)c1ccc2c(c1)NCN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 1/20 0.36
KIF11 P52732 8/20 0.36
HTR1D P28221 3/20 0.36
ADRA1A P35348 3/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR1B P28222 2/20 0.36
ADRA1B P35368 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15829267 0.87 KMT2A (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL31027466 0.75 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30542341 0.75 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL25372479 0.75 ALDH1A1 (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL22339346 0.74 CYP11B1 (0.47) ALDH1A1KMT2AMEN1KIF11NPC1
SCHEMBL24364799 0.72 CYP1A2 (0.33) HTR1DADRA1AADRA2AADRA2BADRA2C
SCHEMBL13244816 0.72 CA2 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18608306 0.72 KMT2A (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL22792663 0.72 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10KMT2A
SCHEMBL10585635 0.71 HDAC1 (0.35) MAPTHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-11566025-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-01-31 US disclosed
US-11168070-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2021-11-09 US disclosed
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-12-24 US disclosed
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2020-07-16 US disclosed
US-10696655-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2020-06-30 US disclosed
US-10633378-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-04-28 US disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 US disclosed
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-05-23 US disclosed
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-10-13 US disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 US disclosed
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-03-29 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11566025-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885HPGD 3073/4885ALOX15 3293/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885HPGD 3073/4885ALOX15 3293/4885
US-20160297810-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 ALDH1A1 4494/4885HPGD 3644/4885ALOX15 3508/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ALDH1A1 1812/4885HPGD 262/4885ALOX15 1156/4885
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 ALDH1A1 1098/4885HPGD 481/4885ALOX15 2434/4885
US-20120077805-A1 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS GABRA5, GABRA3, GABRA6 ALDH1A1 2225/4885HPGD 1215/4885ALOX15 2913/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885HPGD 3073/4885ALOX15 3293/4885
US-10633378-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885HPGD 3073/4885ALOX15 3293/4885
US-20200399244-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC3 ALDH1A1 2185/4885HPGD 2280/4885ALOX15 3527/4885
US-20190152949-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC11 ALDH1A1 2009/4885HPGD 2208/4885ALOX15 3386/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 ALDH1A1 128/4885HPGD 1812/4885ALOX15 2070/4885
US-11168070-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 ALDH1A1 2009/4885HPGD 2208/4885ALOX15 3386/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885HPGD 3073/4885ALOX15 3293/4885
US-20200223845-A1 NOVEL VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, IRF3 ALDH1A1 4494/4885HPGD 3644/4885ALOX15 3508/4885
US-10696655-B2 Therapeutic compounds and uses thereof EP300, HDAC1, HDAC11 ALDH1A1 2009/4885HPGD 2208/4885ALOX15 3386/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.