SCHEMBL1316772

SCHEMBL1316772

O=C(NCc1ccncc1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.68
KMT2A Q03164 2/20 0.66
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
MAPK1 P28482 3/20 0.58
HPGD P15428 2/20 0.58
MMP13 P45452 3/20 0.57
ROCK2 O75116 1/20 0.57
RPS6KA5 O75582 1/20 0.57
MAP4K4 O95819 1/20 0.57

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
SCHEMBL3083971 0.90 HTT (0.75) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL29733373 0.90 HTT (0.75) HTTSMN1; SMN2KMT2AHDAC3HDAC4
Hydrochloric Acid SCHEMBL27924615 0.89 HTT (0.73) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL4060215 0.86 KMT2A (0.68) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL18715392 0.84 SMN1; SMN2 (0.68) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL3550399 0.84 KMT2A (0.71) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL8373059 0.84 KMT2A (0.67) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL27877038 0.84 KMT2A (0.68) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL16598250 0.84 HTT (0.76) HTTSMN1; SMN2KMT2AHDAC3HDAC4
SCHEMBL11818472 0.84 HIF1A (0.67) HTTSMN1; SMN2KMT2AHDAC2HDAC8

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-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 HTT 2843/4885SMN1; SMN2 4073/4885KMT2A 2884/4885

“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.