SCHEMBL3027815

SCHEMBL3027815

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 1/20 0.37
S1PR4 O95977 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 2/20 0.36
VCAM1 P19320 2/20 0.36
SLC22A1 O15245 1/20 0.35

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
SCHEMBL5462325 0.82 TSHR (0.47) MAPTALDH1A1POLBTSHRMAPK1
SCHEMBL3030220 0.82 ATM (0.47) MAPTALDH1A1POLBMAPK1PSEN1
SCHEMBL362275 0.79 AMY1A (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3864396 0.78 TSHR (0.52) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL9268405 0.75 SMN1; SMN2 (0.50) MAPTALDH1A1POLBTSHRMAPK1
SCHEMBL9417634 0.75 SMN1; SMN2 (0.50) MAPTALDH1A1POLBTSHRMAPK1
SCHEMBL4587381 0.75 CASP6 (0.46) ALDH1A1POLBTSHRMAPK1TDP1
SCHEMBL6832589 0.73 KCNH2 (0.44) MAPTALDH1A1POLBTSHRMAPK1
SCHEMBL32669582 0.73 KCNH2 (0.44) MAPTALDH1A1POLBTSHRMAPK1
SCHEMBL15352199 0.73 PSEN1 (0.42) MAPTALDH1A1POLBMAPK1PSEN1

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 MAPT 249/4885ALDH1A1 55/4885POLB 2427/4885
US-20100197715-A1 PIPERIDINE DERIVATIVES GRIN1, GRIN2A, GRIN2C MAPT 249/4885ALDH1A1 55/4885POLB 2427/4885

“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.