SCHEMBL2184601

SCHEMBL2184601

O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.64
▸ ALDH1A1 P00352 9/20 0.64
▸ MAPK1 P28482 3/20 0.64
▸ TP53 P04637 3/20 0.64
▸ LMNA P02545 3/20 0.64
▸ RAB9A P51151 3/20 0.64
▸ USP2 O75604 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ POLB P06746 3/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ HPGD P15428 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ GAA P10253 1/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL12487224 0.93 MAPT (0.66) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL16208427 0.86 MAPT (0.69) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL17538656 0.83 KCNH2 (0.67) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL19246211 0.83 KCNH2 (0.64) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL19254760 0.83 KCNH2 (0.64) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL19246210 0.83 MAPT (0.68) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL6210302 0.83 KCNH2 (0.71) MAPTALDH1A1TP53LMNAPOLB
SCHEMBL17538643 0.81 KCNH2 (0.69) MAPTALDH1A1TP53LMNAPOLB
SCHEMBL17538634 0.80 KCNH2 (0.61) MAPTALDH1A1MAPK1TP53LMNA
SCHEMBL20687491 0.80 ENPP1 (0.71) MAPTALDH1A1MAPK1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949980-B2 Drugs to prevent HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-04-24 — — US disclosed
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 — — US disclosed
US-9066951-B2 Drugs to treat HPV infection WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2015-06-30 — — US disclosed
US-20110165220-A1 DRUGS TO PREVENT HPV INFECTION WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-07-07 — — 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 (2 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-20110165220-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MAPT 4500/4885ALDH1A1 458/4885MAPK1 1445/4885
US-20150297602-A1 DRUGS TO PREVENT HPV INFECTION VHL, PHF13, CDKN1A MAPT 4500/4885ALDH1A1 458/4885MAPK1 1445/4885

“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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