SCHEMBL16756262

SCHEMBL16756262

CC(Nc1cc(C#N)ccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
ALDH1A1 P00352 10/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
HTR6 P50406 2/20 0.57
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 3/20 0.52
RECQL P46063 1/20 0.52
HTT P42858 4/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.43
VCAM1 P19320 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL16756260 1.00 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL16756528 1.00 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL19553760 0.84 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL14247380 0.80 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL5021179 0.80 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL14247611 0.80 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL16756291 0.80 ALDH1A1 (0.62) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL3049997 0.79 CRHBP (0.71) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL29036921 0.78 CRHBP (0.52) MAPTALDH1A1SMN1; SMN2HPGDCRHBP
SCHEMBL15540072 0.77 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDCRHBPCRHR2

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
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA MAPT 1350/4885ALDH1A1 317/4885SMN1; SMN2 674/4885

“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.