SCHEMBL5124741

SCHEMBL5124741

OCc1cccc2nc(-c3ccccc3)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
POLB P06746 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HPGD P15428 2/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL7298660 0.84 APP (0.42) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL7301025 0.78 CYP1A2 (0.48) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL19783341 0.76 KMT2A (0.36) APPRAB9ASMN1; SMN2POLBTP53
SCHEMBL2138067 0.75 APP (0.49) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL30903623 0.75 APP (0.45) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL27925517 0.75 APP (0.45) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL543524 0.75 HSD17B10 (0.44) RAB9ASMN1; SMN2LMNATP53HSD17B10
SCHEMBL8975809 0.75 PDE10A (0.31) RAB9ASMN1; SMN2POLBNPC1MAPT
SCHEMBL30594904 0.74 APP (0.49) APPRAB9ASMN1; SMN2LMNANFKB1
SCHEMBL5116616 0.74 SMN1; SMN2 (0.51) APPRAB9ASMN1; SMN2LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
CN-105392498-A Anti-malignant tumor agent composition PHARMA CO LTD J 2016-03-09 CN disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP disclosed
US-5412099-A Intermediate benzothiazolyl- and benzoxazolyl-aldehyde compounds BAYER AKTIENGESELLSCHAFT (DE) 1995-05-02 US disclosed
EP-0450420-B1 Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments BAYER AG (DE) 1994-09-21 EP disclosed
US-5254692-A Inotropic BAYER AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
US-5200420-A Inotropic agents for cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-04-06 US disclosed
EP-0450420-A2 Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments BAYER AG (DE) 1991-10-09 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C APP 4263/4885RAB9A 2226/4885SMN1; SMN2 1404/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 APP 3226/4885RAB9A 1260/4885SMN1; SMN2 4118/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A APP 4282/4885RAB9A 1986/4885SMN1; SMN2 1763/4885

“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.