SCHEMBL4890102

SCHEMBL4890102

O=C(NC(F)(F)F)c1cc2cccnc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.48
NAMPT P43490 1/20 0.47
CYP2A6 P11509 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ALDH1A1 P00352 5/20 0.41
POLB P06746 5/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 5/20 0.41

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
SCHEMBL4356226 0.81 ALDH1A1 (0.61) CHRNA7NAMPTCYP2A6DRD2DRD3
SCHEMBL5516018 0.77 MAPT (0.58) CHRNA7NAMPTCYP2A6HDAC1ALDH1A1
SCHEMBL844336 0.77 BCL2L1 (0.53) CHRNA7NAMPTCYP2A6ALDH1A1KDM4E
SCHEMBL5531762 0.76 ALDH1A1 (0.56) CHRNA7NAMPTALDH1A1MAPTKDM4E
SCHEMBL28885145 0.76 HDAC1 (0.68) CHRNA7HDAC3HDAC4HDAC1HDAC7
SCHEMBL5235524 0.75 CYP2A6 (0.51) CHRNA7NAMPTCYP2A6ALDH1A1POLB
SCHEMBL15194378 0.75 CYP2A6 (0.51) CHRNA7NAMPTCYP2A6DRD2DRD3
SCHEMBL1098501 0.75 HPGD (0.54) CHRNA7NAMPTCYP2A6DRD2DRD3
SCHEMBL27613491 0.74 CYP2A6 (0.50) CHRNA7NAMPTCYP2A6ALDH1A1POLB
Hydrochloric Acid SCHEMBL27655726 0.74 CYP2A6 (0.50) CHRNA7NAMPTCYP2A6ALDH1A1POLB

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
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US claimed
EP-3665169-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS Forma Therapeutics, Inc. (US) 2020-06-17 EP disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed
US-20080306107-A1 Compounds ASTRAZENECA AB (SE) 2008-12-11 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-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CHRNA7 4359/4885NAMPT 1718/4885CYP2A6 2374/4885
US-20080306107-A1 Compounds FURIN, PCSK9, SLC10A1 CHRNA7 3256/4885NAMPT 750/4885CYP2A6 688/4885

“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.