SCHEMBL4044952

SCHEMBL4044952

CCC(NC(=O)Cc1nc2ccccc2o1)(C(=O)O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
NPC1 O15118 4/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
AKR1B1 P15121 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL12561257 0.77 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13101605 0.76 RAB9A (0.50) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3583878 0.75 ANO1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12561522 0.72 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6418757 0.71 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1L3MBTL1ADRB3LMNA
SCHEMBL14310604 0.71 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11321089 0.70 NPC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2L3MBTL1
SCHEMBL4743238 0.69 SMN1; SMN2 (0.53) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11835830 0.69 MEN1 (0.61) RAB9ANPC1MAPTSMN1; SMN2ADRB2
SCHEMBL4044947 0.69 NPC1 (0.42) RAB9ANPC1MAPTALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576090-B2 e.g. N-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl ]benzamide; multi-target protein kinase, especially epidermal and endothrlial growth factor, inhibitors; antiproliferative, anticarcinogenic agent 4SC AG (DE) 2009-08-18 US disclosed
US-7514460-B2 Benzazole analogues and uses thereof 4SC AG (DE) 2009-04-07 US disclosed
EP-1885719-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2008-02-13 EP disclosed
EP-1833823-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2007-09-19 EP disclosed
WO-2006069740-A1 2, 5 AND 2, 6-DISUBSTITUTED BENZAZOLE ANALOGUES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-07-06 WO disclosed
WO-2006066795-A1 2,5- AND 2,6-DISUBSTITUTED BENZAZOLE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS 4SC AG (DE) 2006-06-29 WO disclosed
US-20060142570-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-29 US disclosed
EP-1674466-A1 2,5- and 2,6-disubstituted benzazole analogues useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
EP-1674467-A1 2,5- and 2,6-disubstituted benzazole derivatives useful as protein kinase inhibitors 4SC AG (DE) 2006-06-28 EP disclosed
US-20060135782-A1 Benzazole analogues and uses thereof 4SC AG (DE) 2006-06-22 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 (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-20060142570-A1 Benzazole analogues and uses thereof CYP3A5, CYP3A7, CYP3A43 RAB9A 3254/4885NPC1 2073/4885MAPT 4328/4885
US-20060135782-A1 Benzazole analogues and uses thereof DCK, SBK3, DAPK3 RAB9A 2582/4885NPC1 4134/4885MAPT 3499/4885

“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.