SCHEMBL17066899

SCHEMBL17066899

CCn1cc(Br)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 8/20 0.37
RAB9A P51151 7/20 0.36
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
LRRK2 Q5S007 2/20 0.33
CYP1A2 P05177 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
SCHEMBL30154328 0.87 NPC1 (0.42) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL12507379 0.82 NPC1 (0.45) NPC1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL20381742 0.81 LRRK2 (0.40) KDM4ESMN1; SMN2HTTMAPTLMNA
SCHEMBL2187316 0.81
SCHEMBL2186778 0.81 KDM4E (0.30) NPC1ALDH1A1KDM4E
SCHEMBL21818557 0.80 ACHE (0.39)
SCHEMBL16592078 0.80 KDR (0.41) NPC1KDM4ESMN1; SMN2RAB9AHTT
SCHEMBL1359371 0.79 LRRK2 (0.36) NPC1ALDH1A1KDM4ELMNALRRK2
SCHEMBL6989663 0.78 LRRK2 (0.36) NPC1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL4230309 0.78 L3MBTL1 (0.35) NPC1ALDH1A1KDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303584-A1 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE SUMO INHIBITORS AND USES THEREOF CIT THERAPEUTICS LLC 2023-09-28 US disclosed
WO-2021150918-A1 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE SUMO INHIBITORS AND USES THEREOF ONCOVALENT THERAPEUTICS INC. (US) 2021-07-29 WO disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
US-9408919-B2 Biodegradable polymer—bioactive moiety conjugates POLYACTIVA PTY LTD. (AU) 2016-08-09 US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 EP 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 (5 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-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 NPC1 1048/4885ALDH1A1 3586/4885KDM4E 121/4885
US-20230303584-A1 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE SUMO INHIBITORS AND USES THEREOF SUMO1, SUMO3, SUMO2 NPC1 3826/4885ALDH1A1 1409/4885KDM4E 462/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 NPC1 1020/4885ALDH1A1 3517/4885KDM4E 111/4885
US-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 NPC1 3011/4885ALDH1A1 3238/4885KDM4E 68/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 NPC1 3011/4885ALDH1A1 3238/4885KDM4E 68/4885

“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.