SCHEMBL23850176

SCHEMBL23850176

O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(F)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
ALDH1A1 P00352 3/20 0.81
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
LMNA P02545 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 3/20 0.59
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 2/20 0.53
FFAR2 O15552 1/20 0.52
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL31588124 1.00 MAPT (0.81) MAPTMEN1KMT2AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL31285867 0.91 MAPT (0.75) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL3485710 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL2976966 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL29748739 0.87 MAPT (0.73) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL29937559 0.86 MAPT (0.68) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL3485340 0.86 MAPT (0.68) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL23850819 0.86 MAPT (0.72) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL23850837 0.86 MAPT (0.72) MAPTMEN1KMT2AALDH1A1CYP2C9
SCHEMBL2039548 0.86 MAPT (0.80) MAPTMEN1KMT2AALDH1A1CYP2C9

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-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN 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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 MAPT 4705/4885MEN1 1332/4885KMT2A 3156/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR MAPT 302/4885MEN1 161/4885KMT2A 3381/4885

“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.