SCHEMBL13265689

SCHEMBL13265689

COc1cccc(NS(=O)(=O)c2cccc(Cc3ccc([N+](=O)[O-])cc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ PKM P14618 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ POLB P06746 2/20 0.49
▸ AR P10275 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LIMK2 P53671 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL13265681 0.90 KMT2A (0.60) ALDH1A1LMNAKMT2APKMSMN1; SMN2
SCHEMBL2240850 0.86 CYP19A1 (0.65) ALDH1A1LMNAKMT2APKMSMN1; SMN2
SCHEMBL8151065 0.81 MAPT (0.57) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL13265927 0.81 ALDH1A1 (0.55) ALDH1A1LMNAKMT2APKMSMN1; SMN2
SCHEMBL13265924 0.80 KMT2A (0.58) ALDH1A1LMNAKMT2AARKDM1A
SCHEMBL14537878 0.80 L3MBTL1 (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2HPGD
SCHEMBL13265932 0.76 KMT2A (0.62) ALDH1A1LMNAKMT2ASMN1; SMN2MAPK1
SCHEMBL14537875 0.74 DDX3X (0.57) ALDH1A1KMT2ACYP19A1KDM1AMAOA
SCHEMBL28746841 0.74 ALDH1A1 (0.60) ALDH1A1LMNAPKMSMN1; SMN2HPGD
SCHEMBL28661171 0.74 CYP19A1 (0.72) ALDH1A1LMNAKMT2APKMSMN1; SMN2

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 ALDH1A1 4359/4885LMNA 2874/4885KMT2A 1930/4885

“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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