SCHEMBL908400

SCHEMBL908400

NC1=NN(c2ccccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.54
ALOX5 P09917 3/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ADRB1 P08588 1/20 0.42
ALB P02768 4/20 0.40
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLA2G1B P04054 1/20 0.37
RAB9A P51151 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HSD11B1 P28845 1/20 0.35
MGLL Q99685 1/20 0.35
NOTUM Q6P988 2/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL11388295 0.86 ABL1 (0.51) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL7714578 0.80 ABL1 (0.56) ABL1ALOX5PTGS1PTGS2MEN1
SCHEMBL7714573 0.79 ABL1 (0.55) ABL1ALOX5PTGS1PTGS2MEN1
SCHEMBL7714559 0.79 ABL1 (0.59) ABL1ALOX5PTGS1PTGS2MEN1
SCHEMBL7714570 0.79 ABL1 (0.42) ABL1ALOX5PTGS1PTGS2KDM4E
SCHEMBL30450769 0.79 ADRB1 (0.42) ALOX5ADRB1ALBMEN1HTT
SCHEMBL11189086 0.79 ABL1 (0.42) ABL1ALOX5PTGS1PTGS2KDM4E
SCHEMBL7719105 0.79 DDB1 (0.42) ABL1ALOX5PTGS1PTGS2ADRB1
SCHEMBL907698 0.79 ALOX5 (0.45) ABL1ALOX5PTGS1PTGS2MEN1
Hydrochloric Acid SCHEMBL10956641 0.77 ABL1 (0.53) ABL1ALOX5PTGS1PTGS2MEN1

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
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US claimed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP claimed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO claimed
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US claimed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP claimed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP claimed
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US disclosed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP disclosed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO disclosed
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US disclosed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP disclosed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP disclosed
EP-0022578-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-PYRAZOLINE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-06-29 EP disclosed
EP-0055418-B1 PYRAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-26 EP disclosed
US-4556671-A Pharmaceutical formulations BURROUGHS WELLCOME CO. (US) 1985-12-03 US disclosed
EP-0055418-A2 Pyrazoline derivatives, processes for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1982-07-07 EP disclosed
US-4268436-A OXIDATIVE DIAZOTIZATION WITH NITROSYLSULFURIC ACID, ALKALINE METAL NITRITES, OR ALKYL NITRITES AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-05-19 US disclosed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 EP 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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases DAO, DDO, MAOA ABL1 1067/4885ALOX5 1140/4885PTGS1 1991/4885

“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.