SCHEMBL2202098

SCHEMBL2202098

Clc1ccccc1Cn1cccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CYP19A1 P11511 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
BRD4 O60885 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR35 Q9HC97 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2A13 Q16696 2/20 0.42
ADRB2 P07550 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
SCHEMBL30364150 1.00 GAA (0.50) GAAMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL31247827 0.84 SMN1; SMN2 (0.44) GAASMN1; SMN2RAB9ALMNAHTT
SCHEMBL28851379 0.81 GAA (0.46) GAAMAPTHTTBRD4HDAC1
SCHEMBL27956815 0.81 CYP3A4 (0.54) GAAMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL27407526 0.79 BRD4 (0.46) GAAMAPTLMNAHTTMEN1
SCHEMBL3806937 0.78 SMN1; SMN2 (0.48) GAAMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL30047375 0.78 ALDH1A1 (0.56) GAAMAPTSMN1; SMN2LMNAHTT
SCHEMBL27217167 0.78 BRD4 (0.45) GAAMAPTLMNAHTTMEN1
SCHEMBL27385894 0.78 CYP11B1 (0.53) GAAMAPTSMN1; SMN2RAB9ALMNA
SCHEMBL7465706 0.78 ALDH1A1 (0.56) GAAMAPTSMN1; SMN2LMNAHTT

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
CN-104136434-B FGF receptor (FGFR) agonist dimeric compounds thing, its preparation method and its therapeutic use 赛诺菲 2016-07-06 CN disclosed
US-20140348850-A1 METHOD FOR REDUCING BLOOD PRESSURE USING INHIBITORS OF PLASMA KALLIKREIN JOSLIN DIABETES CENTER 2014-11-27 US disclosed
US-8658685-B2 Methods for treatment of kallikrein-related disorders ACTIVESITE PHARMACEUTICALS, INC. (US) 2014-02-25 US disclosed
EP-2542525-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF L'Oréal (FR) 2013-01-09 EP disclosed
EP-2509977-A1 NOVEL CATIONIC 4-AMINOINDOLES, DYE COMPOSITION COMPRISING A CATIONIC 4-AMINOINDOLE, PROCESSES THEREFOR AND USES THEREOF L'Oréal (FR) 2012-10-17 EP disclosed
US-8258170-B2 Inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2012-09-04 US disclosed
US-20110318359-A1 METHOD FOR REDUCING BLOOD PRESSURE USING INHIBITORS OF PLASMA KALLIKREIN JOSLIN DIABETES CENTER 2011-12-29 US disclosed
US-20110301215-A1 INHIBITORS OF PLASMA KALLIKREIN Activesite Phamaceuticals, Inc. (US) 2011-12-08 US disclosed
WO-2011107501-A1 CATIONIC 6-AMINOINDOLINES, DYEING COMPOSITIONS CONTAINING THEM, PROCESSES AND USES THEREOF L'OREAL (FR) 2011-09-09 WO disclosed
US-7977380-B2 Inhibitors of plasma kallikrein Activesite Pharmaceticals, Inc. (US) 2011-07-12 US disclosed
US-20110065757-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS JOSKIN DIABETES CENTER (US) 2011-03-17 US disclosed
US-20100130563-A1 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7625944-B2 Inhibitors of plasma kallikrein ACTIVESITE PHARMACEUTICALS, INC. (US) 2009-12-01 US disclosed
US-20080038276-A1 INHIBITORS OF PLASMA KALLIKREIN ACTIVESITE PHARMACEUTICALS, INC. (US) 2008-02-14 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-20110065757-A1 METHODS FOR TREATMENT OF KALLIKREIN-RELATED DISORDERS KLKB1, SERPINE1, KLK1 GAA 349/4885MAPT 192/4885SMN1; SMN2 587/4885
US-20080038276-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 GAA 842/4885MAPT 1928/4885SMN1; SMN2 3269/4885
US-20100130563-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 GAA 842/4885MAPT 1928/4885SMN1; SMN2 3269/4885
US-20140348850-A1 METHOD FOR REDUCING BLOOD PRESSURE USING INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK2 GAA 1103/4885MAPT 3433/4885SMN1; SMN2 4390/4885
US-20110318359-A1 METHOD FOR REDUCING BLOOD PRESSURE USING INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK2 GAA 1103/4885MAPT 3433/4885SMN1; SMN2 4390/4885
US-20110301215-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, KLK5 GAA 842/4885MAPT 1928/4885SMN1; SMN2 3269/4885

“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.