SCHEMBL13616477

SCHEMBL13616477

C/C=N/N1CCN(Cc2cc(-c3ccc(OC)cc3)no2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NAAA Q02083 1/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL13616475 0.87 HDAC3 (0.43) MAPTALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13616471 0.86 DRD2 (0.46) MAPTALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13616468 0.86 NOTUM (0.48) MAPTALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13616467 0.86 SMN1; SMN2 (0.47) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13616483 0.85 HDAC3 (0.41) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
SCHEMBL13616486 0.84 CXCR1 (0.50) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL8576630 0.83 ALDH1A1 (0.66) MAPTALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13616474 0.83 MAPT (0.43) MAPTLMNAPOLBCYP2C9HDAC3
SCHEMBL4320442 0.82 MAPT (0.53) MAPTALDH1A1HTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8575375 0.82 ALDH1A1 (0.65) MAPTALDH1A1HTTSMN1; SMN2NPC1

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 MAPT 3175/4885ALDH1A1 1070/4885HTT 2295/4885

“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.