SCHEMBL14217241

SCHEMBL14217241

Cc1cc([N+](=O)[O-])c(N)cc1N1CCC(C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.46
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.40
CTPS1 P17812 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL9899836 0.85 MAPT (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899709 0.85 SERPINE1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9900500 0.83 MAPT (0.45) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL14217240 0.82 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL18341900 0.79 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL25191149 0.78 HSD17B10 (0.36) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL21001151 0.78 MAPT (0.71) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5949625 0.75 MAPT (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL23043642 0.73 KMT2A (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9899139 0.73 POLB (0.44) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822498-B2 Synthesis of deuterated catechols and benzo[D][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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 (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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES MAPT 4308/4885ALDH1A1 140/4885MEN1 4309/4885

“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.