SCHEMBL7986375

SCHEMBL7986375

CC(=O)NCCc1nc2cc(-c3nc4cc(-c5nc6cc(-c7ccccc7)ccc6[nH]5)ccc4[nH]3)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
VSIR Q9H7M9 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL14665618 0.85 HTT (0.55) HTTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7653373 0.81 PRKAG1 (0.48) SMN1; SMN2KDM4EALDH1A1GAAMMP2
SCHEMBL7658619 0.79 RAB9A (0.46) HTTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7660194 0.79 NPC1 (0.47) HTTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL16136353 0.78 HTT (1.00) HTTSMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL7649789 0.78 NPC1 (0.43) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL24684964 0.77 CYP2C9 (0.52) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7654751 0.75 HTT (0.64) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22649095 0.74 NPC1 (0.67) HTTSMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL7659959 0.74 HTT (0.63) HTTSMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 US disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 US disclosed
US-6221892-B1 Heterocyclic topoisomerase poisons THE STATE OF UNIVERSITY OF NEW JERSEY, RUTGERS 2001-04-24 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-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE PCNA, CD2BP2, BPGM HTT 2314/4885SMN1; SMN2 3714/4885KDM4E 4345/4885

“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.