SCHEMBL417622

SCHEMBL417622

Nc1ccc(-c2nc3cc(-c4ccc5[nH]cnc5c4)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
SMN1; SMN2 Q16637 9/20 0.55
ALDH1A1 P00352 9/20 0.55
KDM4E B2RXH2 8/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
HPGD P15428 8/20 0.55
NPC1 O15118 7/20 0.55
RAB9A P51151 6/20 0.55
HSD17B10 Q99714 6/20 0.55
GAA P10253 6/20 0.55
POLB P06746 5/20 0.55
GFER P55789 4/20 0.55
GLA P06280 4/20 0.55
TP53 P04637 4/20 0.55
RXFP1 Q9HBX9 2/20 0.55
RECQL P46063 2/20 0.55
CACNA1B Q00975 2/20 0.53
APBA1 Q02410 2/20 0.53
NFKB1 P19838 3/20 0.52

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
SCHEMBL21409922 0.91 MEN1 (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL9862039 0.88 ALDH1A1 (0.69) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL14669368 0.88 MEN1 (0.64) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL459808 0.87 NPC1 (0.54) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL9678715 0.87 MAPT (0.60) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL21409923 0.84 MEN1 (0.68) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL14669372 0.83 NPC1 (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL419961 0.82 MEN1 (0.77) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL417825 0.82 ALDH1A1 (0.71) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL14669464 0.82 KDM4E (0.48) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975416-B2 Antibacterial compounds SUMMIT CORPORATION PLC (GB) 2015-03-10 US claimed
EP-2373631-B1 ANTIBACTERIAL COMPOUNDS SUMMIT CORP PLC (GB) 2015-02-25 EP claimed
US-9763925-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2017-09-19 US disclosed
EP-3095783-A1 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2016-11-23 EP disclosed
US-20160184283-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2016-06-30 US disclosed
US-9314456-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2016-04-19 US disclosed
EP-2907813-A1 Antibacterial Compound Summit Corporation Plc (GB) 2015-08-19 EP disclosed
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2015-06-04 US disclosed
US-8975416-B2 Antibacterial compounds SUMMIT CORPORATION PLC (GB) 2015-03-10 US disclosed
EP-2373631-B1 ANTIBACTERIAL COMPOUNDS SUMMIT CORP PLC (GB) 2015-02-25 EP disclosed
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC 2012-01-26 US disclosed
EP-2373631-A2 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2011-10-12 EP disclosed
WO-2010063996-A2 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC (GB) 2010-06-10 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 (3 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-20160184283-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI MAPT 2963/4885SMN1; SMN2 2597/4885ALDH1A1 1088/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI MAPT 3002/4885SMN1; SMN2 2666/4885ALDH1A1 1135/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI MAPT 2963/4885SMN1; SMN2 2597/4885ALDH1A1 1088/4885

“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.