SCHEMBL13616560

SCHEMBL13616560

C/C=N/N1CCN(Cc2onc(-c3ccc(C)cc3)c2C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 6/20 0.43
GAA P10253 5/20 0.43
THRB P10828 2/20 0.43
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 8/20 0.38
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 5/20 0.37
USP2 O75604 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13616488 0.91 CYP1A2 (0.39) SMN1; SMN2LMNAGAATHRBALDH1A1
SCHEMBL13616559 0.89 GAA (0.46) SMN1; SMN2LMNAGAATHRBALDH1A1
SCHEMBL13616487 0.80 LMNA (0.47) SMN1; SMN2LMNAGAAMAPK1L3MBTL1
SCHEMBL4317015 0.73 CYP1A2 (0.41) SMN1; SMN2LMNAALDH1A1MAPK1MAPT
SCHEMBL13616568 0.72 MAPK1 (0.43) SMN1; SMN2LMNAGAAALDH1A1MAPK1
SCHEMBL13616475 0.71 HDAC3 (0.43) SMN1; SMN2LMNAGAAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL9848168 0.71 NPC1 (0.46) SMN1; SMN2LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL13616564 0.68 DRD2 (0.44) KMT2A
SCHEMBL13616566 0.67 SMN1; SMN2 (0.52) SMN1; SMN2LMNAGAATHRBALDH1A1
SCHEMBL13616567 0.67 MAPK1 (0.49) SMN1; SMN2LMNAGAATHRBALDH1A1

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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 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-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 SMN1; SMN2 4789/4885LMNA 2521/4885GAA 245/4885

“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.