SCHEMBL742365

SCHEMBL742365

NC1(CO)CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.46
MAOB P27338 1/20 0.46
SIGMAR1 Q99720 4/20 0.38
TSHR P16473 2/20 0.38
HDAC9 Q9UKV0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR2A P28223 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
SCHEMBL17603684 0.82 KDM1A (0.47) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL27889440 0.81 KDM1A (0.46) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL17603661 0.79 KDM1A (0.44) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL4737865 0.79 HDAC9 (0.44) KDM1AMAOBSIGMAR1TSHRHDAC9
SCHEMBL4735703 0.79 HDAC9 (0.44) KDM1AMAOBSIGMAR1TSHRHDAC9
SCHEMBL7330436 0.78 SIGMAR1 (0.44) KDM1AMAOBSIGMAR1MEN1KMT2A
SCHEMBL7154324 0.78 MAOB (0.50) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL9280563 0.78 SIGMAR1 (0.44) KDM1AMAOBSIGMAR1MEN1KMT2A
SCHEMBL4736099 0.77 KDM1A (0.42) KDM1AMAOBSIGMAR1TSHRALDH1A1
SCHEMBL29453777 0.77 KDM1A (0.42) KDM1AMAOBSIGMAR1TSHRALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (7 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM1A 2649/4885MAOB 3352/4885SIGMAR1 1364/4885
US-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 KDM1A 3924/4885MAOB 1374/4885SIGMAR1 1097/4885
US-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 KDM1A 3697/4885MAOB 902/4885SIGMAR1 611/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KDM1A 2649/4885MAOB 3352/4885SIGMAR1 1364/4885
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KDM1A 4732/4885MAOB 2977/4885SIGMAR1 1077/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KDM1A 4732/4885MAOB 2977/4885SIGMAR1 1077/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KDM1A 4732/4885MAOB 2977/4885SIGMAR1 1077/4885

“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.