SCHEMBL5451234

SCHEMBL5451234

CC/C=C(\CCC)c1c2ccccc2nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 2/20 0.35
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SLC9A1 P19634 2/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14409410 0.79 KDM4E (0.37) ATMTSHRKDM4CALDH1A1MAPT
SCHEMBL3364083 0.79 GRM2 (0.40) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3364072 0.79 GRM2 (0.40) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3364077 0.79 GRM2 (0.40) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4697442 0.72 CRHR1 (0.42) ALDH1A1MAPTCASP1CASP7KDM4E
SCHEMBL4697443 0.72 CRHR1 (0.42) ALDH1A1MAPTCASP1CASP7KDM4E
Hydrochloric Acid SCHEMBL4698416 0.71 CRHR1 (0.42) ALDH1A1MAPTCASP1CASP7KDM4E
Hydrochloric Acid SCHEMBL4698414 0.71 CRHR1 (0.42) ALDH1A1MAPTCASP1CASP7KDM4E
SCHEMBL3363707 0.70 CRHR1 (0.43)
SCHEMBL3363711 0.70 CRHR1 (0.43)

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-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH MPO 4276/4885ATM 3871/4885TSHR 291/4885

“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.