SCHEMBL13265897

SCHEMBL13265897

O=C(Nc1nc2ccccc2s1)c1ccccc1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.69
▸ SCD O00767 1/20 0.69
▸ ALDH1A1 P00352 4/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ RAB9A P51151 7/20 0.67
▸ NPC1 O15118 6/20 0.67
▸ KDM4E B2RXH2 1/20 0.57
▸ KMT2A Q03164 5/20 0.55
▸ MAPT P10636 4/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ PKM P14618 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 2/20 0.50

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
SCHEMBL13265898 0.84 NPC1 (0.66) SCDALDH1A1RAB9ANPC1KDM4E
SCHEMBL4919533 0.82 SCD (1.00) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL3490813 0.81 ALDH1A1 (1.00) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL4910770 0.81 RAB9A (1.00) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL13265782 0.80 MMP13 (0.67) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL5733198 0.78 MAPT (0.72) MMP13SCDALDH1A1RAB9ANPC1
SCHEMBL5731624 0.78 MAPT (0.69) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL4920918 0.76 RAB9A (0.80) MMP13SCDALDH1A1CYP2C9RAB9A
SCHEMBL30553321 0.75 SCD (0.84) MMP13SCDALDH1A1CYP3A4CYP2D6
SCHEMBL23926515 0.75 MAPT (0.66) MMP13SCDALDH1A1RAB9ANPC1

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 MMP13 4117/4885SCD 3123/4885ALDH1A1 4359/4885

“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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