SCHEMBL18739478

SCHEMBL18739478

CCC(=O)Cc1nc(NC(C)C)cs1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CDK5 Q00535 5/20 0.33
▸ CDK5R1 Q15078 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ GRM1 Q13255 1/20 0.32

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
SCHEMBL12840678 0.84 KMT2A (0.34) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL19287187 0.83 CYP1A2 (0.38) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL20192290 0.81 ALDH1A1 (0.34) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL1398316 0.74 ADAMTS5 (0.42) KMT2AMEN1ALDH1A1RAB9AL3MBTL1
SCHEMBL20705465 0.70 CYP1A2 (0.37) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL19538511 0.69 CYP1A2 (0.39) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL16708654 0.68 HCAR3 (0.36) ALDH1A1CCNA2CDK2HPGDHSD17B10
SCHEMBL12674552 0.66 CDK5 (0.39) KMT2ATDP1MEN1CDK5CDK5R1
SCHEMBL11188433 0.64 HSD17B10 (0.40) KMT2AMEN1CDK5CDK5R1ALDH1A1
SCHEMBL27916221 0.64 GABRA5 (0.38) CDK5CDK5R1ALDH1A1CCNA2CDK2

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-9822147-B2 Methods of treating ophthalmic diseases using NPR-B agonists SHIRE ORPHAN THERAPIES GMBH (DE) 2017-11-21 — — US disclosed
US-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-13 — — 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-20170101440-A1 METHODS OF TREATING OPHTHALMIC DISEASES USING NPR-B AGONISTS NPR1, EDNRB, NPR3 KMT2A 4534/4885TDP1 2605/4885MEN1 2959/4885

“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.

Send feedback