SCHEMBL4359282

SCHEMBL4359282

Cc1ccc(C(=O)O)c(C)c1N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR2C P28335 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR6 P50406 1/20 0.38
TTR P02766 1/20 0.38
HTR3A P46098 4/20 0.38
HTR1A P08908 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CCR4 P51679 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37

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
SCHEMBL4552620 0.86 ADRB1 (0.41) ADRB1HTR2CUSP2ALDH1A1TSHR
SCHEMBL18171738 0.86 ACVR1 (0.45) ADRB1HTR2CHTR3AHTR1ACYP1A2
SCHEMBL27261095 0.84 ADRB1 (0.42) ADRB1KDM4EHTR2CUSP2ALDH1A1
SCHEMBL5745223 0.81 ADRB1 (0.49) ADRB1KDM4EUSP2ALDH1A1TSHR
SCHEMBL27202087 0.79 ALDH1A1 (0.54) ADRB1KDM4EUSP2ALDH1A1TSHR
Benzene SCHEMBL27642991 0.76 HTR6 (0.48) ADRB1KDM4EUSP2ALDH1A1TSHR
SCHEMBL27107055 0.75 ADRB1 (0.63) ADRB1KDM4EHTR2CUSP2ALDH1A1
SCHEMBL3026661 0.75 KDM4E (0.38) ADRB1KDM4EHTR2CUSP2ALDH1A1
Phenylpiperazine SCHEMBL27467493 0.74 ADRB1 (0.61) ADRB1KDM4EHTR2CUSP2ALDH1A1
SCHEMBL27629620 0.74 ADRB1 (0.67) ADRB1HTR6HTR3AHTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 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-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF ADRB1 1545/4885KDM4E 2197/4885HTR2C 4594/4885

“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.