SCHEMBL12604362

SCHEMBL12604362

CCn1nc(C)c2c(Cl)c(C(=O)O)c(C)nc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.38
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NR3C1 P04150 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11719032 0.85 KMT2A (0.62) KMT2AMEN1POLBGAAKDM4E
SCHEMBL5927908 0.82 GAA (0.40) KMT2AMEN1POLBGAAKDM4E
SCHEMBL4930739 0.75 KMT2A (0.34) KMT2AMEN1NR3C1KDM4EALDH1A1
SCHEMBL12604361 0.75 KMT2A (0.44) KMT2AMEN1CRHBPCRHR2NR3C1
SCHEMBL11544175 0.74 KMT2A (0.74) KMT2APOLBNR3C1
SCHEMBL12604363 0.71 KMT2A (0.50) KMT2AMEN1POLBGAAKDM4E
SCHEMBL1472014 0.71 NR3C1 (0.39) NR3C1KDM4EALDH1A1HPGD
SCHEMBL4930821 0.71 NPC1 (0.32) KMT2ANR3C1
SCHEMBL1056333 0.70 GABRP (0.54) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL5465438 0.70 KDM4E (0.46) KMT2AMEN1POLBCRHBPCRHR2

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-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20110118249-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, CCNY, RTF1 KMT2A 2899/4885MEN1 4674/4885POLB 84/4885

“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.