SCHEMBL4281724

SCHEMBL4281724

CC(C)(CNc1ccnc2cc(Cl)ccc12)NCc1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
CCR1 P32246 1/20 0.55
CYP1A2 P05177 2/20 0.54
FERMT2 Q96AC1 4/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APP P05067 1/20 0.47
NR4A2 P43354 1/20 0.47
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL29578425 0.92 PKM (0.72) PKMCCR1CYP1A2FERMT2KDM4E
SCHEMBL4288006 0.92 PKM (0.72) PKMCCR1CYP1A2FERMT2KDM4E
Hydrochloric Acid SCHEMBL7837900 0.91 PKM (0.70) PKMCCR1CYP1A2FERMT2KDM4E
Hydrochloric Acid SCHEMBL7839361 0.91 PKM (0.55) PKMCCR1CYP1A2FERMT2KDM4E
Hydrochloric Acid SCHEMBL7840186 0.90 CYP1A2 (0.55) PKMCCR1CYP1A2FERMT2KDM4E
SCHEMBL7835537 0.90 PKM (0.54) PKMCCR1CYP1A2FERMT2KDM4E
Hydrochloric Acid SCHEMBL7838222 0.89 PKM (0.59) PKMCCR1CYP1A2FERMT2KDM4E
Hydrochloric Acid SCHEMBL7834766 0.88 PKM (0.52) PKMCCR1CYP1A2FERMT2KDM4E
SCHEMBL7833242 0.88 CYP1A2 (0.53) PKMCCR1CYP1A2FERMT2KDM4E
SCHEMBL7837427 0.88 CYP1A2 (0.55) PKMCCR1CYP1A2FERMT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-01-19 US claimed
EP-0876346-B1 ANTIMALARIAL QUINOLIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-07-25 EP claimed
US-20230416786-A1 USE OF AMINOQUINOLINE COMPOUNDS FOR HIGHER GENE INTEGRATION CELLECTIS SA (FR) 2023-12-28 US disclosed
US-9073985-B2 Methods and products for treating proliferative diseases THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-07-07 US disclosed
US-20130296237-A1 Use Of Chloroquine To Treat Metabolic Syndrome UNIV WASHINGTON (US) 2013-11-07 US disclosed
US-8440695-B2 Use of chloroquine to treat metabolic syndrome ST JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2013-05-14 US disclosed
US-20110318335-A1 METHODS AND PRODUCTS FOR TREATING PROLIFERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2011-12-29 US disclosed
US-20090099134-A1 TREATMENT OF DNA DAMAGE RELATED DISORDERS ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2009-04-16 US disclosed
US-20080319010-A1 Use of Chloroquine to Treat Metabolic Syndrome ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2008-12-25 US disclosed
US-20060241139-A1 Treatment of DNA damage related disorders ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2006-10-26 US disclosed
US-7084157-B2 Ophthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-08-01 US disclosed
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation RAUT RAJEEV 2006-01-19 US disclosed
US-20050124653-A1 Treatment of dna damage related disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-09 US disclosed
US-20050032834-A1 Treatment of DNA damage related disorders ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2005-02-10 US disclosed
US-20050014785-A1 Treatment of radiation disorders PERLEGEN SCIENCES, INC. (US) 2005-01-20 US disclosed
EP-0876346-B1 ANTIMALARIAL QUINOLIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2001-07-25 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 (10 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-20050014785-A1 Treatment of radiation disorders XRCC5, XRCC6, QTRT1 PKM 2712/4885CCR1 2075/4885CYP1A2 2466/4885
US-20090099134-A1 TREATMENT OF DNA DAMAGE RELATED DISORDERS BRCA1, ERCC4, POLN PKM 3551/4885CCR1 4009/4885CYP1A2 2838/4885
US-20050124653-A1 Treatment of dna damage related disorders ERCC1, ERCC5, ERCC2 PKM 3037/4885CCR1 2064/4885CYP1A2 2253/4885
US-20110318335-A1 METHODS AND PRODUCTS FOR TREATING PROLIFERATIVE DISEASES BECN1, G6PD, KDR PKM 167/4885CCR1 2315/4885CYP1A2 2114/4885
US-20060014786-A1 Opthalmic pharmaceutical compositions and methods for treating ocular inflammation AQP4, IL5, CCL11 PKM 1586/4885CCR1 413/4885CYP1A2 876/4885
US-20130296237-A1 Use Of Chloroquine To Treat Metabolic Syndrome NPC1L1, ECHS1, PCSK9 PKM 1607/4885CCR1 2237/4885CYP1A2 582/4885
US-20050032834-A1 Treatment of DNA damage related disorders BRCA1, ERCC4, POLN PKM 3551/4885CCR1 4009/4885CYP1A2 2838/4885
US-20080319010-A1 Use of Chloroquine to Treat Metabolic Syndrome NPC1L1, ECHS1, PCSK9 PKM 1607/4885CCR1 2237/4885CYP1A2 582/4885
US-20230416786-A1 USE OF AMINOQUINOLINE COMPOUNDS FOR HIGHER GENE INTEGRATION ERCC4, LIG4, LIG3 PKM 4099/4885CCR1 3970/4885CYP1A2 573/4885
US-20060241139-A1 Treatment of DNA damage related disorders BRCA1, ERCC4, POLN PKM 3551/4885CCR1 4009/4885CYP1A2 2838/4885

“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.