SCHEMBL3740311

SCHEMBL3740311

CCC(O)(C(=O)O)c1ccc(C)nc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
ELANE P08246 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
GLS O94925 1/20 0.32

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
SCHEMBL3742529 0.77 KCNA5 (0.49) CYP1A2KDM4EGAA
SCHEMBL26917371 0.75 SLC22A12 (0.42) TSHRSMN1; SMN2HDAC1HDAC6SLC22A12
SCHEMBL29858057 0.75 SLC22A12 (0.42) TSHRSMN1; SMN2HDAC1HDAC6SLC22A12
SCHEMBL584028 0.74 CYP2C19 (0.47) TSHRHDAC1HDAC6KMT2ACYP1A2
SCHEMBL5570579 0.74 CYP2C19 (0.47) TSHRHDAC1HDAC6KMT2ACYP1A2
SCHEMBL7899580 0.74 CYP2C19 (0.47) TSHRHDAC1HDAC6KMT2ACYP1A2
SCHEMBL7753106 0.74 SLC22A12 (0.41) TSHRSMN1; SMN2HDAC1HDAC6SLC22A12
SCHEMBL17589159 0.74 HDAC1 (0.41) TSHRSMN1; SMN2HDAC1HDAC6SLC22A12
Hydrochloric Acid SCHEMBL17583182 0.72 HDAC1 (0.40) TSHRSMN1; SMN2HDAC1HDAC6SLC22A12
Ammonia Solution, Strong SCHEMBL3396016 0.72 CYP2C19 (0.45) TSHRKMT2ACYP1A2MAPTGLS

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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R TSHR 47/4885SMN1; SMN2 3692/4885HDAC1 165/4885

“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.