SCHEMBL4743149

SCHEMBL4743149

COC(=O)CNCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.40
TET2 Q6N021 1/20 0.40
RECQL P46063 1/20 0.39
BRD4 O60885 1/20 0.38
SAT1 P21673 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2810358 0.91 EPHX2 (0.49) EPHX2TDP1TSHRTET2KMT2A
SCHEMBL9544427 0.90 EPHX2 (0.51) EPHX2TDP1KMT2AKDM4E
SCHEMBL22096239 0.90 EPHX2 (0.51) EPHX2TDP1KMT2AKDM4E
SCHEMBL4662750 0.90 EPHX2 (0.51) EPHX2TDP1KMT2AKDM4E
SCHEMBL5232716 0.81 GAA (0.48) EPHX2TDP1SAT1SMN1; SMN2MGAM
SCHEMBL16894162 0.81 TET2 (0.36) EPHX2TSHRTET2RECQLBRD4
SCHEMBL30028645 0.79 KMT2A (0.41) TDP1SMN1; SMN2KMT2AKDM4E
SCHEMBL6018553 0.79 KMT2A (0.36) EPHX2TSHRRECQLBRD4SMN1; SMN2
SCHEMBL6018556 0.79 KMT2A (0.36) EPHX2TSHRRECQLBRD4SMN1; SMN2
SCHEMBL24197361 0.78 BRD4 (0.50) EPHX2TDP1TSHRBRD4SMN1; SMN2

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
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-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
CN-109071497-B PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2021-10-22 CN disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 US disclosed
EP-3419969-A1 HETEROARYL INHIBITORS OF PAD4 Padlock Therapeutics, Inc. (US) 2019-01-02 EP disclosed
CN-109071497-A PAD4 heteroaryl inhibitors 帕德罗科治疗公司 2018-12-21 CN disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO disclosed
WO-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO disclosed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed
WO-2008104756-A1 UREA DERIVATIVES AND THEIR THERAPEUTIC USE SERENTIS LIMITED (GB) 2008-09-04 WO disclosed
EP-0783517-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1997-07-16 EP disclosed
WO-1996010034-A2 THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-04-04 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 (4 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 EPHX2 681/4885TDP1 22/4885TSHR 3984/4885
US-11897866-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 EPHX2 681/4885TDP1 22/4885TSHR 3984/4885
US-20220081418-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 EPHX2 681/4885TDP1 22/4885TSHR 3984/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 EPHX2 681/4885TDP1 22/4885TSHR 3984/4885

“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.