SCHEMBL17815598

SCHEMBL17815598

C[C@H](Nc1nc(Cl)nc2c1ncn2Cc1ccc(C(N)=O)cc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 10/20 0.63
HDAC1 Q13547 10/20 0.54
HDAC2 Q92769 10/20 0.54
HDAC3 O15379 9/20 0.54
HDAC4 P56524 9/20 0.54
HDAC7 Q8WUI4 9/20 0.54
HDAC10 Q969S8 9/20 0.54
HDAC11 Q96DB2 9/20 0.54
HDAC8 Q9BY41 9/20 0.54
HDAC6 Q9UBN7 9/20 0.54
HDAC9 Q9UKV0 9/20 0.54
HDAC5 Q9UQL6 9/20 0.54
NCOR2 Q9Y618 4/20 0.54
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49

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
SCHEMBL19714550 1.00 YTHDC1 (0.63) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL19714548 0.87 YTHDC1 (0.59) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17815585 0.87 YTHDC1 (0.59) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL19714686 0.87 YTHDC1 (0.55) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17815586 0.87 YTHDC1 (0.55) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17815788 0.84 CFTR (0.62) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL19714626 0.84 CFTR (0.62) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17815605 0.79 HDAC6 (0.62) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL17815602 0.78 CCNE2 (0.64) YTHDC1HDAC1HDAC2HDAC3HDAC4
SCHEMBL27387465 0.78 YTHDC1 (1.00) YTHDC1HDAC1HDAC2HDAC3HDAC4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 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 (2 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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 YTHDC1 3944/4885HDAC1 1527/4885HDAC2 1700/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 YTHDC1 3944/4885HDAC1 1527/4885HDAC2 1700/4885

“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.