SCHEMBL13616469

SCHEMBL13616469

C/C=N/N1CCN(Cc2cc(-c3cccc(Cl)c3)no2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
CXCR1 P25024 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALPG P10696 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IGF1R P08069 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL13616468 0.88 NOTUM (0.48) NOTUMCXCR1NPC1RAB9AKMT2A
SCHEMBL13616467 0.88 SMN1; SMN2 (0.47) NOTUMNPC1RAB9AKMT2AMAPT
SCHEMBL13616481 0.83 CYP2A6 (0.52) ALDH1A1MAPTLMNAIGF1RHDAC3
SCHEMBL13616473 0.83 HDAC3 (0.39) NOTUMALDH1A1MAPTIGF1RHDAC3
SCHEMBL13616470 0.83 MAPT (0.39) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL13616483 0.82 HDAC3 (0.41) NOTUMKMT2AALDH1A1MAPTLMNA
SCHEMBL13616475 0.82 HDAC3 (0.43) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL4320548 0.82 NOTUM (0.61) NOTUMCXCR1NPC1RAB9AKMT2A
SCHEMBL13616471 0.81 DRD2 (0.46) CXCR1NPC1RAB9AALDH1A1MAPT
SCHEMBL13616561 0.80 HDAC3 (0.38) CXCR1ALDH1A1L3MBTL1IGF1RHDAC3

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 NOTUM 4303/4885CXCR1 3625/4885NPC1 202/4885

“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.