SCHEMBL1805758

SCHEMBL1805758

NC(=O)c1ccc(N)c(C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.55
▸ LCK P06239 1/20 0.45
▸ PARP1 P09874 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TSHR P16473 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ APEX1 P27695 1/20 0.42

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
SCHEMBL13688528 0.87 IKBKB (0.56) IKBKBKMT2AKDM4EGFERRXFP1
Terephthalamide SCHEMBL28048082 0.85 KMT2A (0.57) IKBKBPARP1KMT2AKDM4EGFER
SCHEMBL5303404 0.84 IKBKB (0.73) IKBKBKMT2AKDM4EGFERRXFP1
SCHEMBL25516110 0.82 KDM4E (0.41) IKBKBLCKPARP1KMT2AKDM4E
SCHEMBL27448425 0.82 ALDH1A1 (0.41) IKBKBLCKPARP1KMT2AKDM4E
SCHEMBL1512044 0.82 ALDH1A1 (0.50) IKBKBLCKPARP1KMT2AKDM4E
SCHEMBL11555300 0.81 LCK (0.48) LCKPARP1KMT2AKDM4ETSHR
SCHEMBL8412857 0.81 ALDH1A1 (0.49) LCKPARP1KMT2AKDM4ETSHR
SCHEMBL30342277 0.81 LCK (0.48) LCKPARP1KMT2AKDM4ETSHR
SCHEMBL1428434 0.81 ALDH1A1 (0.49) LCKPARP1KMT2AKDM4ETSHR

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-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
WO-2020210649-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2020-10-15 — — WO disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — US disclosed
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED 2009-12-24 — — US disclosed
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 — — EP disclosed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 — — US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 — — US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 — — EP disclosed
US-6046206-A Method of treating a patient having a precancerous lesions with amide quinazoline derivatives CELL PATHWAYS, INC. (US) 2000-04-04 — — US disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 — — US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 — — US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 — — US disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 — — 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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 IKBKB 2843/4885LCK 1851/4885PARP1 1902/4885
US-20090318479-A1 SUBSTITUTED RING FUSED AZINES AND THEIR USE IN CANCER THERAPY TP53, AZI2, MCL1 IKBKB 483/4885LCK 358/4885PARP1 83/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 IKBKB 3043/4885LCK 3120/4885PARP1 4411/4885

“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.

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