SCHEMBL13265783

SCHEMBL13265783

O=C(Nc1ccc2cc[nH]c2c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RXFP2 Q8WXD0 1/20 0.48
▸ CFTR P13569 1/20 0.48
▸ GABRA1 P14867 1/20 0.48
▸ GABRB1 P18505 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ GABRA4 P48169 1/20 0.48
▸ GABRA6 Q16445 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ESR1 P03372 5/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL13265775 0.92 MAPT (0.51) MAPTALDH1A1LMNACFTRMEN1
SCHEMBL13265959 0.82 ESR1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13265855 0.81 MAPT (0.54) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265846 0.80 SCN8A (0.53) MAPTALDH1A1LMNARXFP2CFTR
SCHEMBL13265938 0.79 BAZ1A (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL14537694 0.79 SMN1; SMN2 (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6170327 0.79 ESR1 (0.51) MAPTLMNARXFP2CFTRGABRA1
SCHEMBL13265835 0.79 MAPT (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13240478 0.79 MAPT (0.63) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL13265842 0.78 ALDH1A1 (0.58) MAPTALDH1A1LMNAMEN1KMT2A

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 MAPT 2825/4885ALDH1A1 4359/4885LMNA 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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