SCHEMBL13743330

SCHEMBL13743330

Cc1cn(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.45
▸ TSHR P16473 6/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CCR6 P51684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39
▸ GPR35 Q9HC97 2/20 0.39
▸ 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
SCHEMBL28237972 0.79 MAPT (0.47) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL25422711 0.76 TDP1 (0.42) TSHRTDP1MAPTHTTNPSR1
SCHEMBL28267575 0.76 HSD17B10 (0.43) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL15591482 0.71 MAPT (0.44) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL348022 0.68 — —
SCHEMBL772362 0.67 TSHR (0.58) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL8053279 0.67 TSHR (0.58) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL30313522 0.67 TSHR (0.58) HSD17B10TSHRSMN1; SMN2TDP1MAPT
SCHEMBL2760410 0.67 MAPT (0.47) SMN1; SMN2TDP1MAPTHTTNPSR1
SCHEMBL4492163 0.66 CTSD (0.54) SMN1; SMN2TDP1MAPTHTTKDM4E

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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-08-27 — — US disclosed
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding ROSS GREGORY M 2008-09-11 — — US disclosed
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-04-05 — — 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 (3 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-20090215814-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF HSD17B10 4411/4885TSHR 342/4885SMN1; SMN2 707/4885
US-20080221147-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF HSD17B10 4411/4885TSHR 342/4885SMN1; SMN2 707/4885
US-20070078137-A1 Method of inhibiting neurotrophin-receptor binding NGF, NTRK2, BDNF HSD17B10 4411/4885TSHR 342/4885SMN1; SMN2 707/4885

“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.

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