SCHEMBL5525945

SCHEMBL5525945

NC(=S)Nc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2C P28335 2/20 0.51
TP53 P04637 1/20 0.49
TYR P14679 1/20 0.49
TSHR P16473 1/20 0.49
TAS2R38 P59533 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 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
SCHEMBL21459916 0.81 HTR2C (0.60) LTA4HALDH1A1HTR2CGAAPKM
SCHEMBL16792399 0.79 LTA4H (0.50) LTA4HALDH1A1HTR2CHSD17B10GAA
SCHEMBL653550 0.79 ALDH1A1 (0.85) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL31129273 0.78 SMN1; SMN2 (0.65) LTA4HALDH1A1HPGDHTR2CGAA
SCHEMBL2397341 0.78 RAB9A (0.58) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL19676352 0.76 KMT2A (0.50) LTA4HALDH1A1HPGDHTR2CHSD17B10
SCHEMBL7115941 0.76 HTR2C (0.54) HTR2C
SCHEMBL11398014 0.75 KMT2A (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL3425886 0.74 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2D6CYP2C9HPGD
SCHEMBL13716775 0.73 LTA4H (0.67) LTA4HALDH1A1HTR2CTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN disclosed
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 LTA4H 3384/4885ALDH1A1 2069/4885CYP3A4 334/4885

“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.