SCHEMBL916245

SCHEMBL916245

COCCNc1ccc2c(Sc3ccccc3[N+](=O)[O-])cn(Cc3cccnc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTT P42858 3/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL916327 0.87 HTT (0.38) KDM4EHTTPDE4APDE4BPDE4C
SCHEMBL916535 0.87 APP (0.37) KDM4EHTTMAPTLMNAPKM
SCHEMBL917610 0.87 LMNA (0.36) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL916363 0.85 TLR7 (0.39) KDM4EMAPTLMNAPKMMEN1
SCHEMBL3253955 0.84 HTT (0.40) KDM4EHTTPDE4APDE4BPDE4C
SCHEMBL3257249 0.83 ALDH1A1 (0.41) KDM4EHTTPDE4APDE4BPDE4C
SCHEMBL710283 0.83 RAB9A (0.39) KDM4EHTTPDE4APDE4BPDE4C
SCHEMBL916416 0.82 GNRHR (0.39) KDM4EHTTPDE4APDE4BPDE4C
SCHEMBL710143 0.81 CNR1 (0.47) KDM4EHTTMAPTLMNAMEN1
SCHEMBL3256530 0.81 PDE4A (0.46) KDM4EHTTPDE4APDE4BPDE4C

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-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG KDM4E 1670/4885HTT 2123/4885PDE4A 367/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 KDM4E 1577/4885HTT 2974/4885PDE4A 2150/4885

“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.