SCHEMBL2985256

SCHEMBL2985256

COC(=O)CC(N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
LTA4H P09960 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 1/20 0.55
ALOX5 P09917 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FFAR1 O14842 1/20 0.53
PARP10 Q53GL7 1/20 0.51

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
Hydrochloric Acid SCHEMBL6158979 0.99 MAOB (0.55) MAOBLTA4HSMN1; SMN2KMT2AALOX5
Hydrochloric Acid SCHEMBL8324561 0.99 MAOB (0.55) MAOBLTA4HSMN1; SMN2KMT2AALOX5
SCHEMBL5720973 0.86 KMT2A (0.72) LTA4HSMN1; SMN2KMT2AALOX5FFAR1
SCHEMBL2995320 0.86 KMT2A (0.72) LTA4HSMN1; SMN2KMT2AALOX5FFAR1
SCHEMBL1508259 0.85 MAOB (0.57) MAOBLTA4HSMN1; SMN2ALOX5NPC1
SCHEMBL8770978 0.85 MAOB (0.57) MAOBLTA4HSMN1; SMN2ALOX5NPC1
SCHEMBL5720987 0.85 KMT2A (0.51) MAOBLTA4HSMN1; SMN2KMT2AALOX5
Hydrochloric Acid SCHEMBL5207164 0.85 KMT2A (0.71) LTA4HSMN1; SMN2KMT2AALOX5FFAR1
SCHEMBL10260680 0.84 FFAR1 (0.60) MAOBLTA4HSMN1; SMN2KMT2AALOX5
Benzene SCHEMBL27706351 0.83 CYP1A2 (0.51) SMN1; SMN2KMT2ANPC1RAB9AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (2 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 MAOB 95/4885LTA4H 586/4885SMN1; SMN2 4265/4885
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 MAOB 1933/4885LTA4H 1066/4885SMN1; SMN2 2069/4885

“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.