SCHEMBL24176753

SCHEMBL24176753

NCC#Cc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 2/20 0.33
THPO P40225 1/20 0.33
AR P10275 1/20 0.33
CYP2A6 P11509 4/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2E1 P05181 3/20 0.33
CYP2B6 P20813 3/20 0.33
CYP2C8 P10632 2/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KIF11 P52732 1/20 0.32
TRPA1 O75762 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL24177166 0.86 IDO1 (0.44) IDO1CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL29791829 0.86 IDO1 (0.44) IDO1CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL5174617 0.75 CYP2A6 (0.49) CYP1A2CYP2C19CYP2C9CYP3A4THPO
SCHEMBL24176681 0.72 AR (0.42) CYP1A2CYP2C19CYP2C9CYP3A4THPO
SCHEMBL20455567 0.72 PTGES (0.36) IDO1ARTRPA1PTGES
SCHEMBL16401745 0.72 IDO1 (0.38) IDO1ARKIF11TRPA1
SCHEMBL20455559 0.72 IDO1 (0.38) IDO1ARKIF11TRPA1
SCHEMBL29421468 0.72 AR (0.50) ARKIF11
SCHEMBL325632 0.72 AR (0.50) ARKIF11
SCHEMBL29892139 0.72 IDO1 (0.38) IDO1ARKIF11TRPA1

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
EP-4289846-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-12-13 EP disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 IDO1 184/4885CYP1A2 665/4885CYP2C19 360/4885

“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.