SCHEMBL2927341

SCHEMBL2927341

COc1ccccc1Nc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
RAB9A P51151 3/20 0.65
MAPT P10636 2/20 0.65
NPC1 O15118 2/20 0.65
TP53 P04637 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 3/20 0.54
ABCC4 O15439 1/20 0.54
USP2 O75604 1/20 0.54
ABL1 P00519 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
KDR P35968 1/20 0.54
HTT P42858 1/20 0.54
HIF1A Q16665 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
AKR1C3 P42330 2/20 0.51
RAF1 P04049 2/20 0.51
BRAF P15056 2/20 0.51
CSNK2A1 P68400 1/20 0.51

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
SCHEMBL1970577 0.91 RAB9A (0.65) LMNARAB9AMAPTNPC1TP53
SCHEMBL2930334 0.85 SMN1; SMN2 (0.50) LMNARAB9AMAPTNPC1TP53
SCHEMBL2929624 0.82 ALDH1A1 (0.54) LMNARAB9AMAPTNPC1NPSR1
SCHEMBL2934474 0.82 AKR1C3 (0.54) LMNARAB9ANPC1NPSR1ALDH1A1
SCHEMBL2931480 0.81 AKR1C3 (0.51) LMNARAB9ANPSR1ALDH1A1ABCC4
SCHEMBL2931503 0.81 AKR1C3 (0.51) LMNAMAPTNPC1TP53NPSR1
SCHEMBL2928349 0.81 HDAC6 (0.55) LMNANPSR1ALDH1A1ABCC4USP2
SCHEMBL2930797 0.81 AKR1C3 (0.56) LMNARAB9ANPC1NPSR1ALDH1A1
SCHEMBL2930184 0.80 AKR1C3 (0.49) LMNARAB9AMAPTNPSR1ALDH1A1
SCHEMBL13393452 0.79 NPC1 (0.59) LMNARAB9AMAPTNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB LMNA 1520/4885RAB9A 3858/4885MAPT 1464/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB LMNA 1520/4885RAB9A 3858/4885MAPT 1464/4885

“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.