SCHEMBL937666

SCHEMBL937666

CN(C)Cc1ccncc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.57
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ SLC6A4 P31645 9/20 0.42
▸ CYP2A6 P11509 3/20 0.41
▸ SLC6A2 P23975 5/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ KCNH3 Q9ULD8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ G6PD P11413 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HKDC1 Q2TB90 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21674291 0.80 LOXL2 (0.49) LOXL2CHRNB2CHRNA4KCNH3KDM4E
SCHEMBL13285102 0.78 SLC6A4 (0.48) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2
SCHEMBL18230006 0.78 SLC6A4 (0.50) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2
SCHEMBL805499 0.77 — —
SCHEMBL6035134 0.76 AOC1 (0.59) LOXL2CHRNB2CHRNA4SLC6A4CYP2A6
SCHEMBL12344041 0.76 SLC6A4 (0.54) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2
SCHEMBL19444729 0.76 HRH3 (0.46) LOXL2SLC6A4SLC6A2SLC6A3KDM4E
SCHEMBL13644118 0.74 LOXL2 (0.42) LOXL2KCNH3KDM4EALDH1A1POLB
SCHEMBL10284177 0.73 LOXL2 (0.59) LOXL2CYP2A6KCNH3TDP1L3MBTL1
SCHEMBL8149064 0.73 SLC6A4 (0.51) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 — — US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 — — US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 — — EP disclosed
CN-102471327-A Inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2012-05-23 — — CN disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 — — 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885CHRNB2 4880/4885CHRNA4 4852/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LOXL2 4210/4885CHRNB2 4880/4885CHRNA4 4852/4885

“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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