SCHEMBL3302641

SCHEMBL3302641

C[C]1C=CC=C2C1=Nc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HK1 P19367 1/20 0.33
GALK1 P51570 1/20 0.33
KMT2A Q03164 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.31
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31

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
SCHEMBL1506868 0.79 MAPT (0.39) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL29350249 0.79 MAPT (0.39) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL8807286 0.79 IDO1 (0.44) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL29508369 0.79 IDO1 (0.37) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL600996 0.79 IDO1 (0.37) IDO1KDM4EMEN1APAF1ALDH1A1
Hydrochloric Acid SCHEMBL31604161 0.77 MAPT (0.38) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL19283281 0.76 IDO1 (0.46) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL25402538 0.75 IDO1 (0.34) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL5487313 0.75 IDO1 (0.34) IDO1KDM4EMEN1APAF1ALDH1A1
SCHEMBL28337014 0.75 IDO1 (0.34) IDO1KDM4EMEN1APAF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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 (3 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL IDO1 3956/4885KDM4E 4615/4885MEN1 322/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 IDO1 2594/4885KDM4E 3761/4885MEN1 726/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 IDO1 2703/4885KDM4E 4080/4885MEN1 989/4885

“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.