SCHEMBL22952437

SCHEMBL22952437

Cn1nc(-c2ccco2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALOX15 P16050 2/20 0.46
PTGS1 P23219 5/20 0.43
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 4/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FUBP1 Q96AE4 1/20 0.40
RECQL P46063 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
BLM P54132 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL18255 0.86 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL12090641 0.78 PTGS2 (0.51) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL22952753 0.74 LMNA (0.35) MEN1KMT2AGAALMNAPKM
SCHEMBL25722867 0.74 PTGS1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL22951265 0.74 RAB9A (0.37) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL950699 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL22951410 0.73 CHRM1 (0.37) ALDH1A1KDM4E
SCHEMBL16815304 0.73 PTGS1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL768865 0.73 PTGS1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL12245379 0.73 MAPT (0.48) MEN1KMT2AKDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 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 (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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 ALDH1A1 383/4885MEN1 4610/4885KMT2A 1703/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 ALDH1A1 983/4885MEN1 4372/4885KMT2A 1922/4885

“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.