SCHEMBL894479

SCHEMBL894479

CC[C@H](N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
SLC6A4 P31645 1/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL43298 1.00 ALDH1A1 (0.49) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL895913 1.00 ALDH1A1 (0.49) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL4821086 0.84 ALDH1A1 (0.45) ALDH1A1SLC6A4MAPTCYP1A2CYP3A4
SCHEMBL18833848 0.82 LOXL2 (0.53) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL942066 0.82 LOXL2 (0.53) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL16805961 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL6690598 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL11740245 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL1820970 0.81 LOXL2 (0.52) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL5201413 0.81 ALDH1A1 (0.53) ALDH1A1MAPTCYP3A4TSHRLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9879293-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20160177354-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS SAFC, INC. 2016-06-23 US disclosed
EP-2462115-B1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS INC (US) 2016-01-06 EP disclosed
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs ROYALTY SECURITY, LLC 2014-12-18 US disclosed
US-8703448-B2 Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2014-04-22 US disclosed
CN-102574791-A Enzymatic transamination of cyclopamine analogs INFINITY PHARMACEUTICALS INC 2012-07-11 CN disclosed
EP-2462115-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS Infinity Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
US-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-04-05 US disclosed
WO-2011017551-A1 ENZYMATIC TRANSAMINATION OF CYCLOPAMINE ANALOGS INFINITY PHARMACEUTICALS, INC. (US) 2011-02-10 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-20120083607-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ALDH1A1 693/4885SLC6A4 1280/4885MAPT 2225/4885
US-20140371456-A1 Enzymatic Transamination of Cyclopamine Analogs TKT, TALDO1, BCHE ALDH1A1 693/4885SLC6A4 1280/4885MAPT 2225/4885

“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.