SCHEMBL2494366

SCHEMBL2494366

CN(C)c1onc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
CYP2C19 P33261 5/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 4/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
NUDT1 P36639 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
GPR3 P46089 2/20 0.36
NCF1 P14598 1/20 0.35
MAPT P10636 3/20 0.35
KDM1A O60341 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
GLA P06280 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
SCHEMBL2491633 0.76 EGFR (0.35) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL3816281 0.71 GPR3 (0.40) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL1423001 0.71 GPR3 (0.46) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL5697350 0.70 GPR3 (0.45) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL6170975 0.68 RAB9A (0.43) CYP1A2CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL25790264 0.68 TAAR1 (0.41) CYP2D6NUDT1NCF1MEN1KMT2A
SCHEMBL5276597 0.67 GPR3 (0.40) CYP1A2ALDH1A1HSD17B10SMN1; SMN2GPR3
SCHEMBL16118411 0.67 GPR3 (0.40) CYP1A2CYP2C19ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL7217441 0.67 MAOA (0.44) CYP1A2CYP2C19ALDH1A1CYP2D6ALOX15
SCHEMBL1013979 0.67 ALDH1A1 (0.44) CYP1A2ALDH1A1HSD17B10NUDT1SMN1; SMN2

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-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 US disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST CYP1A2 980/4885CYP2C19 643/4885ALDH1A1 4083/4885

“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.