SCHEMBL13616486

SCHEMBL13616486

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 10/20 0.50
HRH3 Q9Y5N1 2/20 0.43
PTPN1 P18031 1/20 0.39
LSS P48449 1/20 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
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL4317402 0.85 CXCR1 (0.54) CXCR1HRH3PTPN1LSSNPC1
SCHEMBL13616477 0.84 MAPT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616475 0.81 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616471 0.80 DRD2 (0.46) CXCR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13616468 0.80 NOTUM (0.48) CXCR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13616467 0.79 SMN1; SMN2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13616483 0.78 HDAC3 (0.41) LSSHDAC3HDAC4HDAC1HDAC7
SCHEMBL13616474 0.77 MAPT (0.43) CXCR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13616561 0.76 HDAC3 (0.38) CXCR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL13616473 0.76 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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 CXCR1 3625/4885HRH3 2648/4885PTPN1 4076/4885

“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.