SCHEMBL9918950

SCHEMBL9918950

C=CCOc1ccc(N=C=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA9 Q16790 5/20 0.40
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP3A4 P08684 2/20 0.38
TRPA1 O75762 1/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL9918940 0.88 ALDH1A1 (0.49) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL10341831 0.83 CYP3A4 (0.43) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL8564350 0.83 CYP3A4 (0.43) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL10697590 0.81 CYP3A4 (0.42) ALDH1A1HPGDMAPTMEN1LMNA
SCHEMBL10341987 0.81 PDIA6 (0.47) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL10433969 0.79 MAPT (0.42) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL28399502 0.77 THRB (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL9918941 0.77 ALDH1A1 (0.43) ALDH1A1HPGDGAAMAPTKMT2A
SCHEMBL8567728 0.77 CYP3A4 (0.49) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL10341851 0.77 CYP3A4 (0.49) ALDH1A1HPGDGAAMAPTCYP3A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-9334236-B2 Lactam-based compounds with a urethane or urea functional group, and uses thereof ISP INVESTMENTS INC. (US) 2016-05-10 US disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
CN-103703005-A Tricyclic inhibitors of kinases ABBOTT LAB 2014-04-02 CN disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
US-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS LLC 2012-06-14 US disclosed
WO-2011022457-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF ISP INVESTMENTS INC. (US) 2011-02-24 WO 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 (2 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-20120149861-A1 LACTAM-BASED COMPOUNDS WITH A URETHANE OR UREA FUNCTIONAL GROUP, AND USES THEREOF CUTA, PUF60, PAM ALDH1A1 1456/4885HPGD 3532/4885GAA 3190/4885
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885HPGD 2475/4885GAA 1670/4885

“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.