SCHEMBL4411491

SCHEMBL4411491

O=C(Nc1ccc(OCCCc2ccccc2)cc1)Oc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.69
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FAAH O00519 7/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
METAP2 P50579 1/20 0.48
METAP1 P53582 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RECQL P46063 1/20 0.47
GAA P10253 1/20 0.47
LTA4H P09960 1/20 0.47
RXFP1 Q9HBX9 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
SCHEMBL4412612 0.95 HSP90AA1 (0.71) HSP90AA1MEN1KMT2ARAB9ANPC1
SCHEMBL4413967 0.88 HSP90AA1 (0.74) HSP90AA1MEN1KMT2ARAB9ANPC1
SCHEMBL4411378 0.87 HSP90AA1 (0.68) HSP90AA1MEN1KMT2AFAAHMAPT
SCHEMBL4407217 0.85 HSP90AA1 (0.65) HSP90AA1MEN1KMT2AFAAHMAPT
SCHEMBL4422323 0.85 HSP90AA1 (0.68) HSP90AA1MEN1KMT2ARAB9ANPC1
SCHEMBL4409573 0.84 FAAH (0.65) HSP90AA1FAAHMAPTALDH1A1KDM4E
SCHEMBL4410614 0.84 FAAH (0.65) HSP90AA1FAAHMAPTALDH1A1KDM4E
SCHEMBL4412272 0.84 FAAH (0.65) HSP90AA1FAAHMAPTALDH1A1KDM4E
SCHEMBL4410939 0.84 FAAH (0.65) HSP90AA1FAAHMAPTALDH1A1KDM4E
SCHEMBL4410267 0.84 FAAH (0.65) HSP90AA1FAAHMAPTALDH1A1KDM4E

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-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US claimed
US-6750246-B1 NOVEL ORALLY ACTIVE PACLITAXEL DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2004-06-15 US claimed
US-20030220391-A1 Pharmaceutical compositions of orally active taxane derivatives having enhanced bioavailability BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 US claimed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 US claimed
US-20090082435-A1 Methods, Compositions, And Compounds For Modulation Of Monoacylglycerol Lipase, Pain, And Stress-Related Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-03-26 US disclosed
US-20080103209-A1 Compounds And Methods For Treating Non-Inflammatory Pain Using Ppar Alpha Agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-05-01 US disclosed
EP-1742626-A2 COMPOUNDS AND METHODS FOR TREATING NON-INFLAMMATORY PAIN USING PPARALPHA AGONISTS The Regents of The University of California (US) 2007-01-17 EP disclosed
WO-2006116773-A2 METHODS, COMPOSITIONS, AND COMPOUNDS FOR MODULATION OF MONOACYLGLYCEROL LIPASE, PAIN, AND STRESS-RELATED DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-11-02 WO disclosed
WO-2005115370-A2 COMPOUNDS AND METHODS FOR TREATING NON-INFLAMMATORY PAIN USING PPARALPHA AGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-08 WO disclosed
US-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 US disclosed
US-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-6916942-B2 Process for the preparation of C-4 carbonate taxanes BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-12 US disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 US disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 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-20050250844-A1 Methods of treating cancer using C-4 carbonate taxanes CA4, CA14, CA13 HSP90AA1 1867/4885MEN1 1742/4885KMT2A 1489/4885
US-20080103209-A1 Compounds And Methods For Treating Non-Inflammatory Pain Using Ppar Alpha Agonists FAAH, CNR2, FAAH2 HSP90AA1 616/4885MEN1 4878/4885KMT2A 2333/4885
US-20090082435-A1 Methods, Compositions, And Compounds For Modulation Of Monoacylglycerol Lipase, Pain, And Stress-Related Disorders MGLL, PNLIP, LIPC HSP90AA1 353/4885MEN1 4743/4885KMT2A 3432/4885
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HSP90AA1 1769/4885MEN1 4269/4885KMT2A 1228/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HSP90AA1 1769/4885MEN1 4269/4885KMT2A 1228/4885
US-20030220391-A1 Pharmaceutical compositions of orally active taxane derivatives having enhanced bioavailability ABCG2, DPYD, UGT2B7 HSP90AA1 840/4885MEN1 2570/4885KMT2A 4413/4885

“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.