SCHEMBL2594227

SCHEMBL2594227

ClC1CCNCCN1c1ccnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 7/20 0.62
▸ ADRB2 P07550 4/20 0.62
▸ ACVR1 Q04771 5/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TGFBR1 P36897 2/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ BMPR1B O00238 2/20 0.39
▸ BMPR1A P36894 2/20 0.39
▸ ACVR1B P36896 2/20 0.39
▸ ACVRL1 P37023 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ AR P10275 1/20 0.39

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
SCHEMBL2587497 0.81 NCF1 (0.58) NCF1ADRB2ACVR1CYP3A4TSHR
SCHEMBL15673603 0.81 NCF1 (0.53) NCF1ADRB2CYP3A4TSHRNFKB1
SCHEMBL900231 0.77 NCF1 (1.00) NCF1ADRB2ACVR1TSHRNFKB1
SCHEMBL30041391 0.77 NCF1 (1.00) NCF1ADRB2ACVR1TSHRNFKB1
Hydrochloric Acid SCHEMBL30061214 0.76 NCF1 (0.97) NCF1ADRB2ACVR1TSHRNFKB1
SCHEMBL23412205 0.72 NCF1 (0.88) NCF1ADRB2TSHRNFKB1ADRB1
SCHEMBL30060463 0.69 ALDH1A1 (0.65) NCF1ADRB2MAPT
SCHEMBL900373 0.69 NCF1 (0.62) NCF1ADRB2ACVR1CYP3A4TSHR
SCHEMBL900393 0.68 ADRB2 (0.50) NCF1ADRB2ACVR1BMPR1BBMPR1A
SCHEMBL30735573 0.68 ADRB2 (0.50) NCF1ADRB2ACVR1BMPR1BBMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085557-B2 Quinolylpiperazino substituted thiolactone compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-07-21 — — US disclosed
EP-2566863-B1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2014-05-14 — — EP disclosed
US-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-07-25 — — US disclosed
EP-2566863-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2013-03-13 — — EP disclosed
WO-2011138666-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2011-11-10 — — 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 (1 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-20130190489-A1 QUINOLYLPIPERAZINO SUBSTITUTED THIOLACTONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF SQOR, TST, FDPS NCF1 3136/4885ADRB2 2221/4885ACVR1 4229/4885

“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.

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