SCHEMBL5115718

SCHEMBL5115718

O=C(Nc1cccc(Cl)c1)c1ccco1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
NPC1 O15118 4/20 0.69
ALDH1A1 P00352 3/20 0.68
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
MAPK1 P28482 2/20 0.67
LMNA P02545 1/20 0.67
KCNK3 O14649 1/20 0.67
KCNK9 Q9NPC2 1/20 0.67
MAPT P10636 4/20 0.66
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
TSHR P16473 2/20 0.66
CASP1 P29466 1/20 0.66
HSD17B10 Q99714 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
POLB P06746 1/20 0.63
HPGD P15428 1/20 0.63

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
SCHEMBL23011774 0.89 ALDH1A1 (0.84) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL6816703 0.84 RAB9A (0.60) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL6632968 0.82 RAB9A (1.00) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL10069465 0.81 F2R (0.72) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL3647264 0.81 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL11528802 0.81 RAB9A (1.00) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL6632563 0.81 RAB9A (0.68) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL259427 0.81 KCNK3 (0.82) RAB9ANPC1ALDH1A1MAPK1LMNA
SCHEMBL18906010 0.81 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1CASP3SENP8
SCHEMBL7122996 0.81 ALDH1A1 (0.68) RAB9ANPC1ALDH1A1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US claimed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO claimed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US disclosed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885ALDH1A1 761/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP RAB9A 3655/4885NPC1 2857/4885ALDH1A1 761/4885
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione TNF, DHPS, IDO1 RAB9A 3356/4885NPC1 3122/4885ALDH1A1 230/4885

“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.