SCHEMBL520441

SCHEMBL520441

CC(=O)Nc1cc(N)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 4/20 0.55
MAPK1 P28482 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
EPHX1 P07099 1/20 0.49
ROCK2 O75116 1/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
PGK1 P00558 1/20 0.45

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
SCHEMBL30641940 1.00 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1CA1CA2
SCHEMBL115706 0.87 CA1 (0.63) ALDH1A1HSD17B10CA1CA2CA9
SCHEMBL30168178 0.87 CA1 (0.63) ALDH1A1HSD17B10CA1CA2CA9
SCHEMBL11290854 0.83 HSD17B10 (0.56) ALDH1A1HSD17B10MAPK1CA1CA2
SCHEMBL28850174 0.82 HDAC1 (0.56) ALDH1A1HSD17B10MAPK1CA1CA2
SCHEMBL8966015 0.82 NPC1 (0.54) ALDH1A1HSD17B10MAPK1CA1CA2
SCHEMBL9121377 0.82 HSD17B10 (0.52) ALDH1A1HSD17B10MAPK1KMT2AMEN1
SCHEMBL1708819 0.81 HDAC1 (0.62) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL2388970 0.81 EPHX1 (0.70) ALDH1A1HSD17B10KMT2AMEN1EPHX1
SCHEMBL4016123 0.81 MEN1 (0.58) ALDH1A1HSD17B10MAPK1KMT2AMEN1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-12-12 US disclosed
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2024-10-17 US disclosed
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
US-12098117-B2 Compositions and methods for the treatment of cancer DUKE UNIVERSITY (US) 2024-09-24 US disclosed
EP-4313939-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2024-02-07 EP disclosed
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed
WO-2022204080-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2022-09-29 WO disclosed
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2022-04-07 US disclosed
EP-3894392-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Duke University (US) 2021-10-20 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
EP-0425345-B1 Keratinic fibres dyeing process with amino-indoles, composition and use devices OREAL (FR) 1994-09-14 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
CN-1051669-A With the method for amino indole dyeing keratinous fibres, compositions and facilities and equipments OREAL (FR) 1991-05-29 CN disclosed
EP-0425345-A1 Keratinic fibres dyeing process with amino-indoles, composition and use devices L'OREAL (FR) 1991-05-02 EP disclosed
US-4968784-A BLACK DYE FOR PAPER NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-11-06 US disclosed
US-4080321-A COLORFASTNESS HOECHST AKTIENGESELLSCHAFT (DT) 1978-03-21 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 (6 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-20240409504-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 ALDH1A1 2667/4885HSD17B10 2152/4885MAPK1 2343/4885
US-20240343681-A1 MOLECULES HAVING PESTICIDAL UTILITY AND INTERMEDIATES AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 326/4885HSD17B10 1831/4885MAPK1 2624/4885
US-12098117-B2 Compositions and methods for the treatment of cancer HSF1, HSP90AB1, HSP90AA1 ALDH1A1 2667/4885HSD17B10 2152/4885MAPK1 2343/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 ALDH1A1 2667/4885HSD17B10 2152/4885MAPK1 2343/4885
US-20220106265-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 ALDH1A1 2667/4885HSD17B10 2152/4885MAPK1 2343/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR ALDH1A1 1174/4885HSD17B10 284/4885MAPK1 1973/4885

“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.