SCHEMBL4976644

SCHEMBL4976644

C=CCn1ncc(C)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10987649 0.81 TSHR (0.50) SMN1; SMN2RAB9ATSHRMITFALDH1A1
SCHEMBL4967856 0.75
SCHEMBL6159480 0.69 SMN1; SMN2 (0.34) SMN1; SMN2RAB9ATSHRMITFALDH1A1
SCHEMBL15703047 0.68 MEN1 (0.39) TSHRALDH1A1LMNA
SCHEMBL29373909 0.67 CYP11B1 (0.37) RAB9AALDH1A1
SCHEMBL31725530 0.67 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AMITFALDH1A1LMNA
SCHEMBL9674402 0.67 HTT (0.55) SMN1; SMN2RAB9AMITFALDH1A1LMNA
SCHEMBL15705467 0.66 APOBEC3G (0.37) TSHRALDH1A1LMNA
SCHEMBL31716780 0.65 HTR2A (0.36) SMN1; SMN2RAB9ATSHRMITFALDH1A1
SCHEMBL22245252 0.65 RAB9A (0.33) SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320527-B1 METHOD FOR PRODUCING 1 SUBSTITUTED 5-CHLORO-4 METHYL PYRAZOLES BASF SE (DE) 2008-08-13 EP disclosed
US-7002023-B2 Method for producing 1 substituted 5-chloro-4 methly pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2006-02-21 US disclosed
US-20040102505-A1 Method for producing 1 substituted 5-chloro-4 methly pyrazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 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 (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-20040102505-A1 Method for producing 1 substituted 5-chloro-4 methly pyrazoles CYP4F2, CYP2F1, CYP4F3 SMN1; SMN2 4772/4885RAB9A 2335/4885TSHR 1454/4885

“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.