SCHEMBL9902185

SCHEMBL9902185

c1cc(-c2conn2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
NOTUM Q6P988 1/20 0.37
AR P10275 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
PTK2 Q05397 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL28271180 0.85 ENPP3 (0.31)
Pyridine SCHEMBL28259846 0.84 NOTUM (0.41) NPC1RAB9AATAD2NOTUMAR
SCHEMBL637900 0.79 RAB9A (0.42) MAPTTP53PKMNPC1RAB9A
SCHEMBL9315649 0.76 RAB9A (0.45) MAPTLMNATP53PKMNPC1
SCHEMBL2679544 0.76 ENPP3 (0.47) MAPTLMNATP53PKMNPC1
SCHEMBL12327638 0.76 METAP2 (0.39)
SCHEMBL8874568 0.76 MAPT (0.45) MAPTLMNATP53PKMNPC1
SCHEMBL69570 0.76
SCHEMBL5014126 0.76 RAB9A (0.44) MAPTLMNANPC1RAB9ANOTUM
SCHEMBL7237023 0.75 CYP2A6 (0.52) MAPTLMNATP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 EP disclosed
EP-2673285-B1 KETOLIDE COMPOUNDS WOCKHARDT LTD (IN) 2017-07-19 EP disclosed
US-20160083412-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2016-03-24 US disclosed
CN-103384676-B Ketolactone compounds WOCKHARDT LTD. (IN) 2016-02-03 CN disclosed
US-9175031-B2 Ketolide compounds WOCKHARDT LIMITED (IN) 2015-11-03 US disclosed
US-20140005133-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2014-01-02 US disclosed
EP-2673285-A1 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2013-12-18 EP disclosed
CN-103384676-A Ketolactone compounds WOCKHARDT LTD 2013-11-06 CN disclosed
WO-2012076989-A1 KETOLIDE COMPOUNDS WOCKHARDT LIMITED (IN) 2012-06-14 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-20160083412-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 MAPT 3391/4885LMNA 4283/4885TP53 2431/4885
US-20140005133-A1 KETOLIDE COMPOUNDS AKR1C3, AKR1D1, AKR1C1 MAPT 3432/4885LMNA 4118/4885TP53 2295/4885

“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.