SCHEMBL17713162

SCHEMBL17713162

NCC(F)(F)c1ccc(-c2ccc(F)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.38
▸ MAOB P27338 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.35
▸ AGXT P21549 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP3 Q9Y6F1 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL16771868 0.80 CYP11B2 (0.50) KIF11PARP1PARP3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL16760250 0.79 CYP11B2 (0.49) KIF11PARP1PARP3CYP3A4ALDH1A1
SCHEMBL16211576 0.77 TSHR (0.52) DPP4CYP3A4TSHRMAPK1HTR2C
SCHEMBL16654724 0.75 GRIN2B (0.36) MAOBPARP1PARP3CYP3A4ALDH1A1
SCHEMBL30161845 0.74 NT5E (0.37) CYP3A4TSHRMAPK1
SCHEMBL29005375 0.74 SMN1; SMN2 (0.36) KIF11TAAR1CYP3A4ALDH1A1TSHR
SCHEMBL16760268 0.74 NT5E (0.37) CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL21995396 0.72 NT5E (0.36) CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL30161934 0.72 NT5E (0.36) CYP3A4TSHRMAPK1
SCHEMBL30936094 0.69 AHR (0.70) CYP3A4ALDH1A1TSHRMAPK1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320848-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-11-09 — — US disclosed
US-20170320848-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-11-09 — — US disclosed
US-20170320848-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2017-11-09 — — US disclosed
EP-3212612-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT Bayer Animal Health GmbH (DE) 2017-09-06 — — EP disclosed
WO-2016066574-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2016-05-06 — — WO disclosed
WO-2016066574-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT BAYER ANIMAL HEALTH GMBH (DE) 2016-05-06 — — WO 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-20170320848-A1 COMPOUNDS FOR USE IN ANTHELMINTHIC TREATMENT ACHE, COX5B, TUBB6 KIF11 3922/4885MAOB 519/4885TAAR1 3803/4885

“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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