SCHEMBL4975596

SCHEMBL4975596

CCN1N=CCC1=O.CCn1nccc1O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.30
SLC13A5 Q86YT5 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
SCHEMBL461258 0.78
Hydrochloric Acid SCHEMBL1359153 0.76
SCHEMBL28960760 0.76
SCHEMBL27319400 0.66 GAA (0.43) ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL10722393 0.66
SCHEMBL23400943 0.65
SCHEMBL21576738 0.63 MAPK1 (0.40) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL13212232 0.62 SLC9A1 (0.41) ALDH1A1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL12293938 0.62
SCHEMBL11499176 0.61 SLC9A1 (0.42) ALDH1A1MAPK1RAB9ANPC1HTT

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 4 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
US-6515139-B1 A process for preparing N-substituted 2-pyrazolin-5-ones of the formula I h R is C1-C8-alkyl, C5-C8-cycloalkyl, phenyl, naphthyl or phenyl- C1-C4-alkyl which may be unsubstituted or may carry one or more substituents which are inert towards BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 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 (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 ALDH1A1 245/4885MAPK1 2849/4885MEN1 241/4885

“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.