SCHEMBL438658

SCHEMBL438658

[CH2-][NH2+]Cc1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 2/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A4 P31645 1/20 0.45
CALM1 P0DP23 1/20 0.44

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
SCHEMBL13389471 0.78 NQO1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL13389738 0.77 POLB (0.50) ALDH1A1KDM4EMAPTCYP1A2CYP2D6
SCHEMBL13389810 0.75 L3MBTL1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL436806 0.74 LTA4H (0.55) CA1CA2LTA4HTSHR
SCHEMBL438008 0.73 IDO1 (0.46) IDO1CA1CA2CA9AGXT
SCHEMBL13389323 0.73 TP53 (0.43) CA2TAAR1ALDH1A1TP53TSHR
SCHEMBL13389311 0.72 ALDH1A1 (0.44) ALDH1A1TSHRSLC6A4KDM4EMAPT
SCHEMBL27884 0.72 LTA4H (0.81) IDO1CA12CA1CA2CA7
SCHEMBL834551 0.72 TAAR1 (0.73) IDO1CA12CA1CA2CA7
SCHEMBL1425001 0.72 LTA4H (0.81) IDO1CA12CA1CA2CA7

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2023-01-10 US disclosed
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2021-08-12 US disclosed
US-10457655-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
EP-2714662-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-10-11 EP disclosed
US-9555039-B2 Piperidine derivatives and compositions for the inhibition of nicotinamide phosphoribosyltransferase (NAMPT) FORMA TM, LLC. (US) 2017-01-31 US disclosed
EP-2594564-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-09-28 EP disclosed
EP-2594562-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2016-07-20 EP disclosed
US-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7566734-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-07-28 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-20070270412-A1 NOVEL PHARMACEUTICALS PFIZER INC 2007-11-22 US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 US disclosed
US-7262192-B2 Substituted pyrazolo[4,3-d]pyrimidines and their use as PDE-5 inhibitors PFIZER INC. (US) 2007-08-28 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 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 (11 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 IDO1 578/4885CA12 4878/4885CA1 4771/4885
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD IDO1 3401/4885CA12 4611/4885CA1 3455/4885
US-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 IDO1 40/4885CA12 2241/4885CA1 3255/4885
US-11547701-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NQO1 IDO1 801/4885CA12 2491/4885CA1 3191/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 IDO1 441/4885CA12 2375/4885CA1 2045/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 IDO1 2615/4885CA12 2666/4885CA1 1063/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 IDO1 1812/4885CA12 4866/4885CA1 4871/4885
US-20070270412-A1 NOVEL PHARMACEUTICALS ABCB11, PCSK9, SLC10A1 IDO1 3258/4885CA12 1003/4885CA1 4159/4885
US-20210244717-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IDO1 1104/4885CA12 2746/4885CA1 2998/4885
US-10457655-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD IDO1 3588/4885CA12 4002/4885CA1 2375/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 IDO1 1104/4885CA12 2746/4885CA1 2998/4885

“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.