SCHEMBL2186353

SCHEMBL2186353

CC(=O)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 4/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPT P10636 1/20 0.55
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LPAR1 Q92633 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL10398283 0.92 RCE1 (0.53) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL6901088 0.92 RCE1 (0.53) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL10399486 0.91 RCE1 (0.52) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL10399412 0.91 LMNA (0.56) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL28107769 0.90 MEN1 (0.61) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL14544524 0.88 LPAR1 (0.67) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL7228409 0.86 MEN1 (0.61) RCE1KMT2AMEN1NPC1RAB9A
SCHEMBL2117209 0.86 LMNA (0.62) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL678725 0.85 L3MBTL1 (0.54) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL3662061 0.85 LMNA (0.58) KMT2AMEN1LMNAALDH1A1HDAC1

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
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US claimed
EP-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP claimed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO claimed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions GIVAUDAN SA (CH) 2011-08-18 US disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 RCE1 141/4885KMT2A 1208/4885MEN1 4741/4885
US-20110200549-A1 Organic Compounds Suitable For Modulating Fragrance Compositions CYP2A6, CYP2B6, CYP2A13 RCE1 514/4885KMT2A 1134/4885MEN1 4794/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RCE1 188/4885KMT2A 1330/4885MEN1 4837/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 RCE1 188/4885KMT2A 1330/4885MEN1 4837/4885

“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.