SCHEMBL21384166

SCHEMBL21384166

Nc1ncc(Cc2cc(F)cc(F)c2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
POLB P06746 2/20 0.51
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.37
SCD O00767 1/20 0.37
NOS1 P29475 1/20 0.35
IDO1 P14902 2/20 0.34
LMNA P02545 2/20 0.33
GPER1 Q99527 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32

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
SCHEMBL21395299 0.89 POLB (0.49) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL29442780 0.89 EPHX2 (0.49) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL21384150 0.89 EPHX2 (0.49) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL965932 0.83 EPHX2 (0.54) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL29442804 0.83 EPHX2 (0.54) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL963712 0.82 EPHX2 (0.70) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL21384040 0.78 EPHX2 (0.59) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL29442859 0.78 EPHX2 (0.59) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL231242 0.74 EPHX2 (0.69) EPHX2POLBTSHRALDH1A1TDP1
SCHEMBL6803163 0.74 EPHX2 (0.74) EPHX2POLBTSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025130765-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-06-26 WO disclosed
WO-2025066935-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-04-03 WO disclosed
WO-2025002360-A1 MRGPRX2 ANTAGONIST, PHARMACEUTICAL COMPOSITION AND USE THEREOF 北京普祺医药科技股份有限公司 2025-01-02 WO disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 EPHX2 597/4885POLB 3273/4885TSHR 4560/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 EPHX2 332/4885POLB 3788/4885TSHR 4679/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 EPHX2 332/4885POLB 3788/4885TSHR 4679/4885

“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.