SCHEMBL3497699

SCHEMBL3497699

Clc1nc(-c2ccccc2)nc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
NT5E P21589 1/20 0.47
ABCG2 Q9UNQ0 5/20 0.47
ABCB1 P08183 1/20 0.47
PRNP P04156 2/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
AVPR1A P37288 1/20 0.43

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
SCHEMBL13312483 0.89 HTT (0.47) HTTMEN1KMT2ANPC1MAPK1
SCHEMBL3459657 0.87 HTT (0.49) HTTMEN1KMT2ANPC1MAPK1
SCHEMBL16183310 0.85 KMT2A (0.52) MEN1KMT2ANPC1PRNPCYP1A2
Hydrochloric Acid SCHEMBL7280022 0.84 PDE5A (0.52) MEN1KMT2ANPC1PRNPCYP1A2
SCHEMBL3575071 0.83 MAPK1 (0.67) HTTMEN1KMT2ANPC1MAPK1
SCHEMBL3972857 0.82 NPC1 (0.50) HTTMEN1KMT2ANPC1MAPK1
SCHEMBL27694133 0.82 CYP1A2 (0.55) MEN1KMT2AMAPK1ABCG2ABCB1
SCHEMBL18455642 0.81 PRNP (0.63) MEN1KMT2AABCG2ABCB1PRNP
SCHEMBL5793174 0.81 CYP1B1 (0.64) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL17904241 0.81 ABCG2 (0.55) HTTMEN1KMT2ANPC1RAB9A

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 10 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
WO-2017016667-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2017-02-02 WO disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
EP-2081924-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 Coley Pharmaceutical Group, Inc. (US) 2009-07-29 EP disclosed
WO-2008030455-A2 SMALL MOLECULE INHIBITORS OF TOLL-LIKE RECEPTOR 9 COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-03-13 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-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES FSCN1, EFNA1, FLNA HTT 58/4885MEN1 1658/4885KMT2A 2095/4885
US-11201296-B2 Compounds having fluorene structures FSCN1, EFNA1, FLNA HTT 58/4885MEN1 1658/4885KMT2A 2095/4885
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 HTT 4498/4885MEN1 4092/4885KMT2A 2253/4885

“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.