SCHEMBL6412640

SCHEMBL6412640

CC(=O)N(C)Cc1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
RAB9A P51151 3/20 0.68
HTT P42858 3/20 0.68
SMN1; SMN2 Q16637 5/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
NPC1 O15118 3/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
LSS P48449 2/20 0.46
PYCR1 P32322 1/20 0.46

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
SCHEMBL11300231 0.82 ALDH1A1 (0.66) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL9824160 0.82 ALDH1A1 (0.70) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL171719 0.82 ALDH1A1 (0.61) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL13114706 0.82 ALDH1A1 (0.61) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL6414624 0.82 MEN1 (0.56) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL23747754 0.81 LSS (0.78) RAB9APOLBNPC1LSSMEN1
SCHEMBL19501389 0.81 SMN1; SMN2 (0.56) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL18773733 0.81 AOC3 (0.56) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL9824635 0.81 ALDH1A1 (1.00) ALDH1A1RAB9AHTTSMN1; SMN2POLB
SCHEMBL10157120 0.80 ALDH1A1 (0.58) ALDH1A1RAB9AHTTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP claimed
US-7816357-B2 Azabicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
CN-1239472-C HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2006-02-01 CN disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
CN-1441775-A HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2003-09-10 CN disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
EP-0200134-B1 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-14 EP disclosed
US-4910315-A Containing a phenyl substitution KUMIAI CHEMICAL INDUSTRY CO. (JP) 1990-03-20 US disclosed
US-4736038-A IMMUNOLOGY KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-04-05 US disclosed
EP-0200134-A2 5,6-Dihydroimidazo[2,1-b]thiazole-2-carboxamide derivatives or salts thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-11-05 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 ALDH1A1 1020/4885RAB9A 3489/4885HTT 1420/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885RAB9A 3358/4885HTT 2477/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 ALDH1A1 239/4885RAB9A 3358/4885HTT 2477/4885

“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.