SCHEMBL1668133

SCHEMBL1668133

CCc1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PDE7A Q13946 1/20 0.46
FBP1 P09467 1/20 0.46
TSHR P16473 4/20 0.44
GPR35 Q9HC97 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40

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
Alcohol SCHEMBL11148831 0.95 FBP1 (0.46) TDP1SMN1; SMN2PDE7AFBP1TSHR
SCHEMBL8361517 0.86 TDP1 (0.58) TDP1SMN1; SMN2FBP1TSHRGPR35
SCHEMBL7166893 0.86 TDP1 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL3599344 0.83 SMN1; SMN2 (0.47) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL6741088 0.83 SMN1; SMN2 (0.47) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL6036699 0.83 ALDH1A1 (0.47) TDP1TSHRGPR35MAPTALDH1A1
SCHEMBL4048581 0.83 TDP1 (0.47) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL4938054 0.82 TDP1 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL3597823 0.82 TDP1 (0.42) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL1374438 0.81 GPR35 (0.48) TDP1SMN1; SMN2PDE7ATSHRGPR35

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
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 EP disclosed
WO-2011042117-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-04-14 WO disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-0319817-A2 Phenylamino- and phenylaminomethyl pyridines, and hair-dyeing products containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1989-06-14 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 TDP1 4591/4885SMN1; SMN2 1047/4885PDE7A 4844/4885

“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.