SCHEMBL4928500

SCHEMBL4928500

Cc1cnc(NC2CCC(NC(=S)Nc3ccc(F)c(Cl)c3)CC2)cc1N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
ALDH1A1 P00352 7/20 0.45
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
MAPT P10636 4/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 1/20 0.43
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4928493 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1NR1I2AHR
Hydrochloric Acid SCHEMBL4926387 0.99 KMT2A (0.44) KMT2AMEN1ALDH1A1NR1I2AHR
Hydrochloric Acid SCHEMBL4926396 0.99 KMT2A (0.44) KMT2AMEN1ALDH1A1NR1I2AHR
SCHEMBL4919822 0.89 KMT2A (0.61) KMT2AMEN1ALDH1A1NR1I2AHR
SCHEMBL4919809 0.89 KMT2A (0.61) KMT2AMEN1ALDH1A1NR1I2AHR
Hydrochloric Acid SCHEMBL4930179 0.88 KMT2A (0.60) KMT2AMEN1ALDH1A1NR1I2AHR
Hydrochloric Acid SCHEMBL4930187 0.88 KMT2A (0.60) KMT2AMEN1ALDH1A1NR1I2AHR
SCHEMBL4927609 0.81 MCHR1 (0.57) MCHR1KCNQ3KCNQ2
SCHEMBL4927601 0.81 MCHR1 (0.57) MCHR1KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL4923574 0.80 MCHR1 (0.56) MCHR1KCNQ3KCNQ2

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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 US claimed
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 KMT2A 818/4885MEN1 1056/4885ALDH1A1 1549/4885

“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.