SCHEMBL2883252

SCHEMBL2883252

COc1ccc(-c2ccncc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
SLC22A12 Q96S37 2/20 0.54
CHEK1 O14757 1/20 0.52
RPS6KA3 P51812 1/20 0.51
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 2/20 0.48
MAP4K4 O95819 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.46
ALPL P05186 1/20 0.46
CA9 Q16790 1/20 0.46
DHODH Q02127 1/20 0.45
PRKAB2 O43741 2/20 0.45

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
SCHEMBL6906435 0.81 ALDH1A1 (0.50) SMN1; SMN2SLC22A12RPS6KA3KDM4EALDH1A1
SCHEMBL30292662 0.81 ALDH1A1 (0.50) SMN1; SMN2SLC22A12RPS6KA3KDM4EALDH1A1
SCHEMBL30292657 0.81 ALDH1A1 (0.50) SMN1; SMN2SLC22A12RPS6KA3KDM4EALDH1A1
SCHEMBL2222831 0.80 ALDH1A1 (0.50) SLC22A12RPS6KA3KDM4EALDH1A1DHODH
SCHEMBL2558137 0.79 MAPT (0.46) SMN1; SMN2SLC22A12RPS6KA3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7279409 0.78 ALDH1A1 (0.49) SLC22A12RPS6KA3KDM4EALDH1A1CYP1A2
SCHEMBL4245149 0.77 KDM4E (0.64) SMN1; SMN2CHEK1KDM4EALDH1A1LMNA
SCHEMBL31325750 0.77 MKNK1 (0.42) SMN1; SMN2SLC22A12KDM4EALDH1A1CYP2D6
SCHEMBL30863845 0.77 KDM4C (0.57) KDM4EALDH1A1GAAMAPT
SCHEMBL31720261 0.77 CYP11B1 (0.52) SMN1; SMN2CHEK1ALDH1A1CYP1A2CYP2C9

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
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 EP 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 SMN1; SMN2 2656/4885SLC22A12 1372/4885CHEK1 3563/4885

“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.