SCHEMBL6487344

SCHEMBL6487344

O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.63
ALDH1A1 P00352 5/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
CYP3A4 P08684 2/20 0.48
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 2/20 0.47
MITF O75030 1/20 0.47
MC4R P32245 1/20 0.47
HPD P32754 3/20 0.47
AKR1B1 P15121 2/20 0.47
AKR1C4 P17516 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
AKR1C1 Q04828 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL997299 1.00 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL29500840 0.88 CYP1A2 (0.51) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10680778 0.87 CYP1A2 (0.58) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28321274 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10511895 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10511891 0.87 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2977227 0.87 HPD (0.52) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27956759 0.85 ALDH1A1 (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL22688204 0.85 CYP1A2 (0.63) CYP1A2ALDH1A1MAPTCYP2C19HPGD
SCHEMBL5292681 0.84 MEN1 (0.51) CYP1A2ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154230-A1 Urea derivatives BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-1461311-A2 UREA DERIVATIVES AS VR1-ANTAGONISTS Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055848-A2 UREA DERIVATIVES AS VR1- ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed
EP-0162776-B1 HETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS USEFUL AS ALDOSE REDUCTASE INHIBITORS CONTAINING THEM LABORATOIRES UPSA (FR) 1989-04-19 EP disclosed
EP-0162776-A2 Heterocyclic derivatives, process for their preparation and medicaments useful as aldose reductase inhibitors containing them LABORATOIRES UPSA (FR) 1985-11-27 EP 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-20050154230-A1 Urea derivatives SLC14A1, UBA1, VAT1 CYP1A2 3223/4885ALDH1A1 218/4885MAPT 2294/4885

“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.