SCHEMBL4259457

SCHEMBL4259457

COC(=O)c1ccc2c(c1)nc(Br)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
FGFR1 P11362 1/20 0.51
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EHMT2 Q96KQ7 1/20 0.45
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
ITK Q08881 1/20 0.44
PTGER4 P35408 1/20 0.44
CNR2 P34972 1/20 0.43
CA12 O43570 1/20 0.42

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
SCHEMBL31489 0.84 RAB9A (0.72) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL29989068 0.84 RAB9A (0.72) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL5318233 0.82 KDM4E (0.63) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL19029395 0.82 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL11947887 0.82 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL30897550 0.82 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL28439988 0.82 KDM4E (0.56) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL6112679 0.80 KDM4E (0.53) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL408881 0.80 KDM4E (0.53) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL5316997 0.80 KDM4E (0.50) KDM4ENPC1LMNAMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2024-02-13 US disclosed
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2022-03-17 US disclosed
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
EP-3419969-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-01-02 EP disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 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 (7 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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 KDM4E 117/4885NPC1 1597/4885LMNA 3266/4885
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 KDM4E 3701/4885NPC1 174/4885LMNA 3362/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 KDM4E 117/4885NPC1 1597/4885LMNA 3266/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 KDM4E 3701/4885NPC1 174/4885LMNA 3362/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 KDM4E 117/4885NPC1 1597/4885LMNA 3266/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB KDM4E 1062/4885NPC1 715/4885LMNA 2708/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 KDM4E 117/4885NPC1 1597/4885LMNA 3266/4885

“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.