SCHEMBL3025962

SCHEMBL3025962

Cc1cc(C[N+](=O)[O-])ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
LMNA P02545 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MMP13 P45452 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
AKR1B1 P15121 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RECQL P46063 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL3028532 0.82 DAO (0.41) DAOALDH1A1POLBMAPTTDP1
SCHEMBL11226009 0.79 ALDH1A1 (0.34) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL3022909 0.78 DAO (0.42) DAOALDH1A1HDAC3HDAC1HDAC2
SCHEMBL11227704 0.76 ALDH1A1 (0.38) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL2093201 0.74 DAO (0.47) DAOMMP13SLC6A2SLC6A4SLC6A3
SCHEMBL27636854 0.74 MRGPRX4 (0.46) LMNAALDH1A1TDP1
SCHEMBL27926184 0.74 NR1H4 (0.46) ALDH1A1MAPTTDP1TSHR
SCHEMBL17971122 0.73 ESR1 (0.54) DAOMMP13SLC6A2SLC6A4SLC6A3
SCHEMBL9322428 0.72 LOXL2 (0.42) ALDH1A1POLBTSHR
SCHEMBL27780517 0.71 EPHX2 (0.43) KMT2AALDH1A1TDP1

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-9067911-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2015-06-30 US disclosed
EP-2391603-B1 AROYLAMINO - AND HETEROAROYLAMINO-SUBSTITUTED PIPERIDINES AS GLYT-1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-20130158050-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20100197715-A1 PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2010-08-05 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-20130158050-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C DAO 2307/4885LMNA 3259/4885MEN1 2862/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C DAO 2307/4885LMNA 3259/4885MEN1 2862/4885

“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.