SCHEMBL3556571

SCHEMBL3556571

CC(C)c1ccc(CNC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
AKR1C3 P42330 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
SCHEMBL24576001 0.86 MEN1 (0.63) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL23235888 0.85 CYP1A2 (0.51) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL13104785 0.85 RAB9A (0.61) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5933554 0.85 MEN1 (0.61) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL11533429 0.83 CYP2C9 (0.65) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL13169668 0.83 ERCC1 (0.60) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5932415 0.83 MEN1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL9272879 0.83 CYP2C9 (0.65) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5932406 0.83 MEN1 (0.59) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL13652539 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3756666-A1 NICOTINAMIDE COMPOUND FOR USE IN THE TREATMENT OF CANCER Oncotartis Inc. (US) 2020-12-30 EP disclosed
EP-3087051-B1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC (US) 2020-07-15 EP disclosed
US-9028590-B2 Process and apparatus for carbon dioxide and carbonyl sulfide capture via ion exchange resins LANXESS DEUTSCHLAND GMBH (US) 2015-05-12 US disclosed
EP-2490789-B1 PROCESS FOR CARBON DIOXIDE CAPTURE VIA ION EXCHANGE RESINS LANXESS SYBRON CHEMICALS INC (US) 2014-08-06 EP disclosed
US-20130193378-A1 PROCESS AND APPARATUS FOR CARBON DIOXIDE AND CARBONYL SULFIDE CAPTURE VIA ION EXCHANGE RESINS LANXESS DEUTSCHLAND GMBH (DE) 2013-08-01 US disclosed
US-8414689-B2 Process and apparatus for carbon dioxide capture via ion exchange resins LANXESS SYBRON CHEMICALS INC. (US) 2013-04-09 US disclosed
US-20120228553-A1 PROCESS AND APPARATUS FOR CARBON DIOXIDE CAPTURE VIA ION EXCHANGE RESINS LANXESS SYBRON CHEMICALS INC. (US) 2012-09-13 US disclosed
WO-2011049759-A1 PROCESS AND APPARATUS FOR CARBON DIOXIDE CAPTURE VIA ION EXCHANGE RESINS LANXESS SYBRON CHEMICALS, INC. (US) 2011-04-28 WO disclosed
US-20110088550-A1 PROCESS AND APPARATUS FOR CARBON DIOXIDE CAPTURE VIA ION EXCHANGE RESINS LANXESS SYBRON CHEMICALS INC. (US) 2011-04-21 US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 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-20130193378-A1 PROCESS AND APPARATUS FOR CARBON DIOXIDE AND CARBONYL SULFIDE CAPTURE VIA ION EXCHANGE RESINS CBR3, CBR1, CBS ALDH1A1 1464/4885L3MBTL1 4305/4885MEN1 4314/4885
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 1036/4885L3MBTL1 1447/4885MEN1 2015/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR ALDH1A1 2071/4885L3MBTL1 1083/4885MEN1 1357/4885

“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.