SCHEMBL9618239

SCHEMBL9618239

CCC(N)c1cccc(Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
NFKB1 P19838 1/20 0.62
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
GLA P06280 1/20 0.60
CFD P00746 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
KCNH2 Q12809 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NISCH Q9Y2I1 1/20 0.38

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 SCHEMBL28974278 0.98 ALDH1A1 (0.63) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1134288 0.85 PNMT (0.58) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15156645 0.83 NISCH (0.48) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL12261509 0.83 NISCH (0.48) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL2675395 0.83 NISCH (0.48) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL14862312 0.82 NISCH (0.47) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL15476926 0.82 NISCH (0.47) PNMTCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11661559 0.82 PNMT (0.59) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL15476691 0.82 NISCH (0.47) PNMTCYP1A2CYP3A4CYP2D6NFKB1
Hydrochloric Acid SCHEMBL29669062 0.82 NISCH (0.47) PNMTCYP1A2CYP3A4CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4321647-A None JP disclosed
CN-115867535-B Substituted benzamides as modulators of TREX1 星座制药公司 2024-12-17 CN disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
EP-4157821-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2023-04-05 EP disclosed
CN-115867535-A Substituted benzamides as modulators of TREX1 星座制药公司 2023-03-28 CN disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
US-8486985-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2013-07-16 US disclosed
US-8486985-B2 Selective subtype alpha 2 adrenergic agents and methods for use thereof ALLERGAN, INC. (US) 2013-07-16 US disclosed
US-20110136884-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2011-06-09 US disclosed
US-20110136884-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ALLERGAN, INC. (US) 2011-06-09 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
JP-H04321647-A DICHLOROPHENYLPROPYLAMINE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE MITSUBISHI GAS CHEM CO INC 1992-11-11 JP 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 (4 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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 PNMT 2877/4885CYP1A2 692/4885CYP3A4 1058/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PNMT 2723/4885CYP1A2 131/4885CYP3A4 25/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A PNMT 2146/4885CYP1A2 313/4885CYP3A4 62/4885
US-20110136884-A1 SELECTIVE SUBTYPE ALPHA 2 ADRENERGIC AGENTS AND METHODS FOR USE THEREOF ADRB2, ADRA2C, ADRA2A PNMT 195/4885CYP1A2 224/4885CYP3A4 974/4885

“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.