SCHEMBL24958738

SCHEMBL24958738

CNC(=O)c1cc(F)c(C(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL15417325 0.81 RAB9A (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL24959995 0.81 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL24960094 0.80 NPC1 (0.48) NPC1RAB9ACYP2C9HPGDTSHR
SCHEMBL24956359 0.78 NPC1 (0.52) NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL24956358 0.78 NPC1 (0.56) NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL24960091 0.78 HPGDS (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL24960109 0.77 TGFBR1 (0.46) NPC1RAB9ATSHRBRD4SMN1; SMN2
SCHEMBL17806604 0.76 BRD4 (0.46) MAPTTLR8TLR7GPR6BRD4
SCHEMBL21989562 0.75 KDM4E (0.42) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL31224325 0.75 NPC1 (0.42) NPC1RAB9AKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591331-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2023-02-28 — — US disclosed
US-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 NPC1 1188/4885RAB9A 478/4885KDM4E 2322/4885
US-11591331-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 NPC1 2940/4885RAB9A 3330/4885KDM4E 1632/4885

“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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