SCHEMBL21384142

SCHEMBL21384142

O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
P2RX3 P56373 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CHEK2 O96017 1/20 0.38
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
PIN1 Q13526 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
SOS1 Q07889 1/20 0.37
HSPB1 P04792 2/20 0.36
CDK8 P49336 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL21384156 0.89 SOS1 (0.49) MAPTP2RX3CHEK2PIN1SLC22A12
SCHEMBL29442820 0.89 SOS1 (0.49) MAPTP2RX3CHEK2PIN1SLC22A12
SCHEMBL29860840 0.87 SOS1 (0.45) MAPTP2RX3PIN1SOS1HSPB1
SCHEMBL4482807 0.87 SOS1 (0.45) MAPTP2RX3PIN1SOS1HSPB1
SCHEMBL3635265 0.84 MAPT (0.44) MAPTP2RX3KMT2AMEN1PIN1
SCHEMBL14656448 0.83 CDK8 (0.47) KMT2AMEN1CHEK2CDK8PPARG
SCHEMBL2028560 0.81 MAPT (0.39) MAPTP2RX3SOS1HSPB1CDK8
SCHEMBL4464354 0.80 SLC22A12 (0.49) SLC22A12
SCHEMBL4463358 0.80 HSPB1 (0.44) MAPTP2RX3KMT2AMEN1HSPB1
SCHEMBL4460183 0.79 HSPB1 (0.59) MAPTP2RX3KMT2AMEN1SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAPT 101/4885P2RX3 763/4885KMT2A 587/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885P2RX3 420/4885KMT2A 2479/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 MAPT 22/4885P2RX3 420/4885KMT2A 2479/4885

“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.