SCHEMBL7977340

SCHEMBL7977340

CO/N=C(\CCCn1ccnc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A4 P31645 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2434454 1.00 DRD4 (0.49) DRD4DRD2ALOX15HSD17B10SLC6A4
SCHEMBL2434453 1.00 DRD4 (0.49) DRD4DRD2ALOX15HSD17B10SLC6A4
SCHEMBL7974679 0.93 DRD4 (0.53) DRD4DRD2ALOX15HSD17B10SLC6A4
SCHEMBL2430518 0.93 DRD4 (0.53) DRD4DRD2ALOX15HSD17B10SLC6A4
SCHEMBL6950168 0.85 SLC6A4 (0.60) ALOX15HSD17B10SLC6A4SIGMAR1MEN1
Hydrochloric Acid SCHEMBL8670830 0.84 SLC6A4 (0.59) ALOX15HSD17B10SLC6A4SIGMAR1MEN1
SCHEMBL2436231 0.78 TBXAS1 (0.59) ALOX15HSD17B10MEN1KMT2A
SCHEMBL12327532 0.78 ALOX15 (0.51) ALOX15HSD17B10SIGMAR1
SCHEMBL15286597 0.76 TBXA2R (0.47) SLC6A4MEN1MAPK1KMT2A
SCHEMBL15286596 0.76 TBXA2R (0.47) SLC6A4MEN1MAPK1KMT2A

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
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
WO-2010011302-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2010-01-28 WO 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA DRD4 3036/4885DRD2 2185/4885ALOX15 37/4885

“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.