SCHEMBL17445461

SCHEMBL17445461

Clc1nc(-c2ccc3c(ccc4ccccc43)c2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.49
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1I3 Q14994 1/20 0.43
CYP3A4 P08684 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1B1 Q16678 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 3/20 0.40
HPRT1 P00492 1/20 0.39

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
SCHEMBL19136142 0.90 METAP1 (0.51) METAP1NPC1RAB9ASMN1; SMN2NR1I3
SCHEMBL25679160 0.84 METAP1 (0.49) METAP1NPC1RAB9ASMN1; SMN2AURKA
SCHEMBL16404333 0.83 METAP1 (0.61) METAP1LMNAMAPTNPC1RAB9A
SCHEMBL21667538 0.83 MEN1 (0.54) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL19169797 0.81 PDE10A (0.56) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL22186525 0.81 ALDH1A1 (0.56) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL11829152 0.81 METAP1 (0.51) METAP1MAPTNPC1RAB9ANR1I3
SCHEMBL13851830 0.80 CYP1B1 (0.47) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL24473221 0.80 MEN1 (0.59) LMNAMAPTNPC1RAB9ARECQL
SCHEMBL17275213 0.80 METAP1 (0.57) METAP1LMNANPC1RAB9ACYP1B1

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
US-11201296-B2 Compounds having fluorene structures MERCK PATENT GMBH (DE) 2021-12-14 US disclosed
EP-3328850-B1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-11 EP disclosed
US-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
WO-2017016667-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2017-02-02 WO disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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 (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-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES FSCN1, EFNA1, FLNA METAP1 3452/4885LMNA 2066/4885MAPT 489/4885
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 METAP1 3160/4885LMNA 2617/4885MAPT 1456/4885
US-11201296-B2 Compounds having fluorene structures FSCN1, EFNA1, FLNA METAP1 3452/4885LMNA 2066/4885MAPT 489/4885

“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.