SCHEMBL2119476

SCHEMBL2119476

CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
RXFP1 Q9HBX9 2/20 0.68
USP2 O75604 1/20 0.68
TSHR P16473 4/20 0.67
GAA P10253 3/20 0.67
LMNA P02545 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.59
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HIF1A Q16665 1/20 0.56
HTT P42858 2/20 0.55
PKM P14618 1/20 0.54

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
SCHEMBL18479753 0.84 LMNA (0.69) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL16076163 0.83 LMNA (0.64) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL17626296 0.81 LMNA (0.62) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL18441008 0.81 ALDH1A1 (0.62) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL18479752 0.81 ALDH1A1 (0.66) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL9331481 0.81 ALDH1A1 (1.00) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL16027916 0.81 LMNA (0.58) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL2501268 0.80 RXFP1 (0.59) ALDH1A1RXFP1USP2TSHRGAA
SCHEMBL25239535 0.80 TSHR (0.67) ALDH1A1RXFP1USP2TSHRL3MBTL1
SCHEMBL460340 0.80 CYP1A2 (0.75) USP2TSHRL3MBTL1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280039-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CHLOROPHENYL PIPERAZINE DERIVED COMPOUNDS AND USE OF THE COMPOUNDS IN PRODUCING MEDICAMENTS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-04 US claimed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 EP disclosed
US-20120094985-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CHLOROPHENYL PIPERAZINE DERIVED COMPOUNDS AND USE OF THE COMPOUNDS IN PRODUCING MEDICAMENTS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2012-04-19 US disclosed
US-20100280040-A1 SYNTHESIS AND PHARMACOKINETIC ACTIVITIES OF PULMODIL AND PULMODIL-1, TWO CHLOROPHENYLPIPERAZINE SALT DERIVATIVES KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-04 US disclosed
US-20100280039-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CHLOROPHENYL PIPERAZINE DERIVED COMPOUNDS AND USE OF THE COMPOUNDS IN PRODUCING MEDICAMENTS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-04 US disclosed
US-20100280041-A1 RHOKINASE-DEPENDENT INHIBITION ACTIVITY ON PULMONARY ARTERY ENDOTHELIUM DYSFUNCTION, MEDIAL WALL THICKNESS AND VASCULAR OBSTRUCTION OF PULMODIL AND PULMODIL-1 KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-04 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 (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-20100280040-A1 SYNTHESIS AND PHARMACOKINETIC ACTIVITIES OF PULMODIL AND PULMODIL-1, TWO CHLOROPHENYLPIPERAZINE SALT DERIVATIVES MCOLN1, AGTR1, CHRM1 ALDH1A1 1756/4885RXFP1 1853/4885USP2 3094/4885
US-20120094985-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CHLOROPHENYL PIPERAZINE DERIVED COMPOUNDS AND USE OF THE COMPOUNDS IN PRODUCING MEDICAMENTS HTR5A, TPH1, HTR2C ALDH1A1 1448/4885RXFP1 3417/4885USP2 3596/4885
US-20100280039-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CHLOROPHENYL PIPERAZINE DERIVED COMPOUNDS AND USE OF THE COMPOUNDS IN PRODUCING MEDICAMENTS HTR5A, TPH1, HTR2C ALDH1A1 1448/4885RXFP1 3417/4885USP2 3596/4885
US-20100280041-A1 RHOKINASE-DEPENDENT INHIBITION ACTIVITY ON PULMONARY ARTERY ENDOTHELIUM DYSFUNCTION, MEDIAL WALL THICKNESS AND VASCULAR OBSTRUCTION OF PULMODIL AND PULMODIL-1 ROCK1, MYLK, PTGIR ALDH1A1 4001/4885RXFP1 342/4885USP2 3557/4885

“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.