SCHEMBL12293234

SCHEMBL12293234

CO/N=C(\CCn1cncn1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.51
DRD2 P14416 3/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
SLC6A4 P31645 1/20 0.41
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38

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
SCHEMBL2430520 1.00 DRD4 (0.51) DRD4DRD2ALDH1A1MEN1KMT2A
SCHEMBL2430518 0.79 DRD4 (0.53) DRD4DRD2SLC6A4
SCHEMBL7974679 0.79 DRD4 (0.53) DRD4DRD2SLC6A4
SCHEMBL11227184 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11227170 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL7977340 0.74 DRD4 (0.49) DRD4DRD2MEN1KMT2AHTT
SCHEMBL2434453 0.74 DRD4 (0.49) DRD4DRD2MEN1KMT2AHTT
SCHEMBL2434454 0.74 DRD4 (0.49) DRD4DRD2MEN1KMT2AHTT
SCHEMBL2433288 0.74 SLC6A4 (0.60) DRD4DRD2SLC6A4
SCHEMBL7963848 0.74 SLC6A4 (0.60) DRD4DRD2SLC6A4

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 2 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

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 2185/4885ALDH1A1 1158/4885

“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.