SCHEMBL7899103

SCHEMBL7899103

C=Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
PLAU P00749 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
NOS1 P29475 5/20 0.42
NOS3 P29474 3/20 0.42
KIF11 P52732 6/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 2/20 0.40
NOS2 P35228 2/20 0.40

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
Phenol SCHEMBL29220711 0.84 KIF11 (0.48) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL18400206 0.80 ESR1 (0.50) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL3185610 0.78 HTR3E (0.56) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL30102082 0.78 HTR3E (0.56) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL17918860 0.78 HTR3E (0.56) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL19707397 0.77 HTR3E (0.50) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL18399382 0.77 SLC22A2 (0.32) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL63468 0.76 ALDH1A1 (0.67) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL1547498 0.74 HTR3E (0.52) HTR3EHTR3BPLAUHTR3AHTR3D
SCHEMBL14395758 0.74 HTR3E (0.52) HTR3EHTR3BPLAUHTR3AHTR3D

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
CN-117777127-A Chiral tetrahydro-beta-carboline derivative and preparation method and application thereof 中山大学 2024-03-29 CN disclosed
US-20230242699-A1 POLYCARBAMATE SYNTHESIS VIA CHAIN-GROWTH COPOLYMERIZATION FENG, Xiaoshuang (CN) 2023-08-03 US disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
WO-2010062559-A1 SUBSTITUTED PYRAZOLOQUINOLINES AND DERIVATIVES THEREOF SCHERING CORPORATION (US) 2010-06-03 WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 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 (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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS HTR3E 2179/4885HTR3B 2528/4885PLAU 4863/4885

“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.