SCHEMBL515950

SCHEMBL515950

[c]1nc2ccccc2nc1-c1nc2c(ccc3ccccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
XIAP P98170 1/20 0.36
ALDH1A1 P00352 5/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7790702 0.77 RAB9A (0.49) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL30926166 0.74 RAB9A (0.46) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL29724159 0.72 KDM4E (0.44) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL24477031 0.72 KDM4E (0.44) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL21630330 0.71 MEN1 (0.41) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL30570826 0.69 RAB9A (0.54) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL24567070 0.69 RAB9A (0.54) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL25060196 0.68 CYP1A1 (0.47) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL28197151 0.68 MAPT (0.44) MEN1KMT2AMAPTHSD17B10KDM4E
SCHEMBL25649453 0.68 KDM4E (0.44) MEN1KMT2AMAPTHSD17B10KDM4E

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
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP claimed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO claimed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO claimed
US-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION SHAPIRO STANLEY S (US) 2012-02-02 US disclosed
US-8039026-B1 Methods for treating skin pigmentation JOHNSON & JOHNSON CONSUMER COMPANIES, INC (US) 2011-10-18 US disclosed
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator SHAPIRO STANLEY S 2008-10-09 US disclosed
EP-1037653-B1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER (US) 2006-09-06 EP disclosed
US-6750229-B2 ADMINISTERING TO A MAMMAL A PIGMENTATION-CHANGING EFFECTIVE AMOUNT OF A BOWMAN-BIRK INHIBITOR OR OF NATURAL EXTRACT CONTAINING A BOWMAN-BIRK INHIBITOR JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2004-06-15 US disclosed
EP-0948308-B1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 2004-02-25 EP disclosed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed
US-20020065300-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER INC. 2002-05-30 US disclosed
US-6323219-B1 PRODRUGS AND PEPTIDES FOR ANTIINFLAMMATORY AGENTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US disclosed
EP-1077063-A2 Methods for treating skin pigmentation JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2001-02-21 EP disclosed
EP-0833839-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-04-08 EP disclosed
WO-1996040742-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040741-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996040748-A1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
US-5523308-A SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES ORTHO PHARMACEUTICAL CORPORATION 1996-06-04 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 (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-20120027706-A1 METHODS FOR TREATING SKIN PIGMENTATION TYR, MC1R, NQO1 MEN1 1797/4885KMT2A 423/4885MAPT 1522/4885
US-20080249029-A1 Administering (S)-N-Methyl-D-phenylalanyl-N-[4-[(aminoiminomethyl)aminol-1-(2-benzothiazolylcarbonyl)butyl-L-prolinamide as a protease activated receptor-2 modulator MC1R, F2RL1, F2R MEN1 3125/4885KMT2A 472/4885MAPT 2584/4885
US-20020065300-A1 METHODS FOR TREATING SKIN PIGMENTATION TYR, MC1R, NQO1 MEN1 1797/4885KMT2A 423/4885MAPT 1522/4885

“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.