Sugi Predict

Sugi Predict / Compounds / SCHEMBL13957

SCHEMBL13957

SCHEMBL13957

N=C(N)NCCCN(CCCN)Cc1ccc(-n2cc3cc(-c4ccc(C(=O)NC5CN6CCC5CC6)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 9/20 0.34
▸ HTR3A P46098 3/20 0.34
▸ HTR3E A5X5Y0 2/20 0.34
▸ HTR3B O95264 2/20 0.34
▸ HTR3D Q70Z44 2/20 0.34
▸ HTR3C Q8WXA8 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ INSR P06213 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ CAMKK2 Q96RR4 1/20 0.33

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
SCHEMBL12061498 0.94 CHRNA7 (0.38) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL13583 0.88 KIT (0.30) —
SCHEMBL14057 0.88 RIPK1 (0.36) CHUKINSRMAPK8CAMKK2
SCHEMBL17277387 0.88 CHUK (0.32) CHUKINSRMAPK8CAMKK2
SCHEMBL12075853 0.85 CHUK (0.32) CHUKINSRMAPK8CAMKK2
SCHEMBL12061506 0.82 RIPK1 (0.39) —
SCHEMBL13865 0.81 RIPK1 (0.40) CHUKINSRMAPK8CAMKK2
SCHEMBL13982 0.81 RIPK1 (0.42) CHUKINSRMAPK8CAMKK2
SCHEMBL14320 0.81 RIPK1 (0.42) TSHRCHUKINSRMAPK8CAMKK2
SCHEMBL14364 0.81 RIPK1 (0.40) KMT2A

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
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CHRNA7 4879/4885HTR3A 4429/4885HTR3E 4156/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHRNA7 4879/4885HTR3A 4429/4885HTR3E 4156/4885

“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.