SCHEMBL7097601

SCHEMBL7097601

COc1ccc(CC#N)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 1/20 0.35
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR1A P08908 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL6356440 0.86 AOC3 (0.38) TUBB1TSHRALDH1A1MAPTCYP1A2
SCHEMBL3239941 0.84 HTR2A (0.42) TSHRNPSR1ALDH1A1MAPT
SCHEMBL29893619 0.84 HTR2A (0.42) TSHRNPSR1ALDH1A1MAPT
SCHEMBL2990425 0.78 SLC6A4 (0.43) ALDH1A1KDM4E
SCHEMBL3028315 0.76 TUBB1 (0.38) TUBB1CASP1HSD17B10PDE4APDE4B
SCHEMBL3188680 0.76 MEP1B (0.44) ALDH1A1
SCHEMBL27920637 0.76 HDAC3 (0.40) TSHRNPSR1ALDH1A1MAPTKDM4E
SCHEMBL4600040 0.76 MRGPRX4 (0.40) TSHRHTR1AALDH1A1MAPTKDM4E
SCHEMBL1287466 0.76 HTR1A (0.37) TUBB1TSHRHTR1AMAPTMRGPRX4
SCHEMBL24776446 0.76 SLC6A4 (0.45)

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
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
US-6528657-B2 For use in electroluminescence light emission element and can emit lights of various colors when an energy such as electric energy or electromagnetic energy is applied thereto TAIHO INDUSTRIES CO., LTD. (JP) 2003-03-04 US disclosed
US-20030023099-A1 Novel fluorescent carbazole derivative HIROSE ENGINEERING CO., LTD. (JP) 2003-01-30 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-20030023099-A1 Novel fluorescent carbazole derivative CBR3, AANAT, SIRT3 TUBB1 1008/4885CASP1 1999/4885HSD17B10 3018/4885

“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.