SCHEMBL7581003

SCHEMBL7581003

N#CCC(=O)N(N)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ GAA P10253 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ KCNH2 Q12809 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GABRA1 P14867 3/20 0.31
▸ GABRG2 P18507 3/20 0.31
▸ GABRB3 P28472 3/20 0.31
▸ GABRB2 P47870 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30

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
SCHEMBL10700211 0.67 AKR1C4 (0.32) ALDH1A1KDM4EMAPTL3MBTL1
Bromide SCHEMBL10568394 0.66 AKR1C4 (0.32) ALDH1A1L3MBTL1
SCHEMBL10868124 0.66 RAB9A (0.50) ALDH1A1HTTRAB9AMAPTNPC1
Hydrochloric Acid SCHEMBL10569294 0.66 AKR1C4 (0.32) ALDH1A1L3MBTL1
SCHEMBL7570789 0.65 GABRA1 (0.35) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL11526228 0.65 GAA (0.38) ALDH1A1KDM4EGAAGLAKCNH2
SCHEMBL24553686 0.64 RAB9A (0.44) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL30829398 0.64 RAB9A (0.44) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL4945211 0.63 TPMT (0.46) ALDH1A1KDM4EKCNH2MCL1HTT
SCHEMBL11522737 0.63 ALDH1A1 (0.37) ALDH1A1KDM4EGAAGLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448265-B1 CORTICOTROPIN RELEASING FACTOR(CRF); ANTIDEPRESSANT; (5-AMINO-1-(2,6-DICHLORO-4-TRIFLUOROMETHYLPHENYL)-3-METHYLSULFANYL-1H -PYRAZOL-4-YL)-(2,5-DIMETHYLPHENYL)METHANONE FOR EXAMPLE PFIZER, INC. 2002-09-10 — — US disclosed
US-6441018-B2 TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES. PFIZER INC. 2002-08-27 — — US disclosed
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHAN (US) 2002-04-25 — — US disclosed
US-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY FARACI WILLIAM STEPHEN (US) 2002-02-07 — — US disclosed
US-6103900-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST WHICH TREAT STRESS-INDUCED DISEASES PFIZER INC (US) 2000-08-15 — — US disclosed
US-6005109-A CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY; EFFECTIVE IN THE TREATMENT OF A WIDE RANGE OF DISEASES INCLUDING STRESS-RELATED ILLNESSES PFLIZER INC. (US) 1999-12-21 — — US disclosed
EP-0674624-B1 PYRAZOLES HAVING CRF ANTAGONIST ACTIVITY PFIZER (US) 1999-01-20 — — EP disclosed
US-5712303-A ANTIDEPRESSANTS PFIZER INC. (US) 1998-01-27 — — US disclosed
EP-0674624-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1995-10-04 — — EP disclosed
WO-1994013643-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONIST ACTIVITY PFIZER INC. (US) 1994-06-23 — — 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 (2 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-20020016333-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 ALDH1A1 2050/4885KDM4E 4308/4885GAA 4359/4885
US-20020049227-A1 PYRAZOLES AND PYRAZOLOPYRIMIDINES HAVING CRF ANTAGONISTIC ACTIVITY CRH, CRHR1, CRHR2 ALDH1A1 2050/4885KDM4E 4308/4885GAA 4359/4885

“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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