SCHEMBL896359

SCHEMBL896359

CCC(C(=O)O)c1nccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.38
AKR1C2 P52895 7/20 0.38
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FFAR2 O15552 1/20 0.34
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
AKR1C1 Q04828 1/20 0.33
PTGS1 P23219 1/20 0.33
KCNQ2 O43526 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL895866 0.78 KCNQ2 (0.42) AKR1C3AKR1C2LMNASMN1; SMN2HTT
SCHEMBL1333007 0.73
SCHEMBL895915 0.72 SMN1; SMN2 (0.41) GAATHRBLMNASMN1; SMN2CYP2C19
SCHEMBL1800612 0.72 AKR1C3 (0.42) AKR1C3AKR1C2GAATHRBLMNA
SCHEMBL895816 0.71 AKR1C3 (0.41) AKR1C3AKR1C2GAATHRBLMNA
SCHEMBL895506 0.71 L3MBTL1 (0.42) AKR1C3AKR1C2LMNAAKR1C1PTGS1
SCHEMBL896254 0.70 MEN1 (0.41) GAALMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL895966 0.69 LMNA (0.40) AKR1C3AKR1C2GAATHRBLMNA
SCHEMBL895856 0.69 S1PR3 (0.43) AKR1C3AKR1C2
SCHEMBL896615 0.68 AKR1C3 (0.46) AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 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-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK AKR1C3 2050/4885AKR1C2 2260/4885GAA 1580/4885

“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.