SCHEMBL17815798

SCHEMBL17815798

CC(=O)Nc1ccc(Nc2ncnc(Nc3ccc(NC(C)=O)cc3)c2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
PRMT1 Q99873 5/20 0.60
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
MCL1 Q07820 1/20 0.59
PTK2B Q14289 1/20 0.59
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
BRAF P15056 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CARM1 Q86X55 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL17815580 0.91 CA1 (0.64) MAPTSMN1; SMN2PRMT1KMT2AMEN1
SCHEMBL23761468 0.76 BRAF (0.57) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL29695536 0.74 TDP1 (0.71) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL17815590 0.72 BRAF (0.53) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL30715571 0.72 ABCG2 (0.78) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL5564516 0.72 ABCG2 (0.78) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL30815002 0.72 CA1 (0.61) MAPTSMN1; SMN2PRMT1KMT2AMEN1
SCHEMBL27226284 0.72 CA1 (0.61) MAPTSMN1; SMN2PRMT1KMT2AMEN1
SCHEMBL642700 0.72 KMT2A (0.81) MAPTSMN1; SMN2KMT2AMEN1CYP3A4
SCHEMBL16922176 0.72 KMT2A (0.81) MAPTSMN1; SMN2KMT2AMEN1CYP3A4

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 5 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
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 MAPT 4816/4885SMN1; SMN2 3889/4885PRMT1 1940/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 MAPT 4816/4885SMN1; SMN2 3889/4885PRMT1 1940/4885

“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.