SCHEMBL13265682

SCHEMBL13265682

O=C(Nc1cccc2cccnc12)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.66
▸ MAPT P10636 5/20 0.65
▸ LMNA P02545 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ RAB9A P51151 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ NFKBIA P25963 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ PLEC Q15149 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PSMD14 O00487 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL13265779 0.85 MAPT (0.52) KDRMAPTLMNASMN1; SMN2RAB9A
SCHEMBL13265685 0.85 MEN1 (0.63) KDRMAPTLMNASMN1; SMN2MEN1
SCHEMBL14537874 0.81 LMNA (0.64) MAPTLMNASMN1; SMN2RAB9AKDM4E
SCHEMBL28439885 0.80 KDR (1.00) KDRMAPTLMNARAB9AKDM4E
SCHEMBL13265938 0.80 BAZ1A (0.56) KDRMAPTLMNASMN1; SMN2RAB9A
SCHEMBL13265843 0.79 RORC (0.59) MAPTLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL13265777 0.79 MAPT (0.54) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL30733199 0.79 MAPT (0.67) KDRMAPTLMNASMN1; SMN2RAB9A
SCHEMBL11995707 0.79 MAPT (0.67) KDRMAPTLMNASMN1; SMN2RAB9A
SCHEMBL13265774 0.77 KMT2A (0.63) MAPTLMNASMN1; SMN2RAB9AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 KDR 4478/4885MAPT 2825/4885LMNA 2874/4885

“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.

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