SCHEMBL5523329

SCHEMBL5523329

O=C(NCc1cccc(I)c1)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HPGD P15428 2/20 0.61
USP2 O75604 1/20 0.61
ERCC1 P07992 1/20 0.59
ERCC4 Q92889 1/20 0.59
HDAC6 Q9UBN7 1/20 0.53
ALOX12 P18054 1/20 0.52
WDR5 P61964 1/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL26926142 0.84 ALDH1A1 (0.50) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL14724835 0.83 ALDH1A1 (0.61) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL13039162 0.83 SMN1; SMN2 (0.64) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL507837 0.82 ALDH1A1 (0.90) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL17048526 0.81 ALDH1A1 (0.63) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL25976163 0.81 USP2 (0.63) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL6244724 0.80 ALDH1A1 (0.93) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL12993457 0.80 ALDH1A1 (0.57) ALDH1A1HPGDUSP2ERCC1ERCC4
SCHEMBL5530350 0.80 ALDH1A1 (0.72) ALDH1A1KMT2ACYP3A4CYP2C9HSD17B10
SCHEMBL5526975 0.80 KDM4E (0.65) ALDH1A1HPGDUSP2ERCC1ERCC4

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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 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 (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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 ALDH1A1 2069/4885HPGD 3176/4885USP2 3213/4885

“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.