SCHEMBL95210

SCHEMBL95210

O=[C]c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
PNMT P11086 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 2/20 0.34
GLA P06280 1/20 0.34
S100B P04271 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
ERCC5 P28715 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
SCHEMBL104772 0.87 CYP3A4 (0.32) TSHRCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL97421 0.79
SCHEMBL102469 0.78 CYP1A2 (0.36) TSHRCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL329657 0.77 MAPK1 (0.40) CYP2A6TDP1CYP3A4
SCHEMBL3595081 0.77 TSHR (0.44) TSHRPNMTCYP1A2CYP2A6ALDH1A1
SCHEMBL8098752 0.76 JAK2 (0.31) LMNA
SCHEMBL2045858 0.76 CES2 (0.34) ALDH1A1TAAR1
SCHEMBL2053018 0.76 ALDH1A1 (0.46) TSHRCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL2053017 0.76 TSHR (0.38) TSHRCYP1A2CYP2A6ALDH1A1TDP1
SCHEMBL2045854 0.76 IDO1 (0.37) TSHRCYP1A2CYP2A6ALDH1A1MEN1

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 802 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US claimed
EP-3749365-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION Ohio State Innovation Foundation (US) 2020-12-16 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-106414480-B Polymyxin derivatives as antimicrobial compounds 莫纳什大学 2020-08-04 CN claimed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
WO-2019148194-A2 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION (US) 2019-08-01 WO claimed
US-20190203063-A1 Improved Print Transfer System POLICROM SCREENS S.P.A. (IT) 2019-07-04 US claimed
US-4314839-A 1,2,3-Thiadiazole-5-carboxylic acid amide derivatives, process for making the same and herbicidal growth regulating defoliating and fungicidal compositions containing same SCHERING AKTIENGESELLSCHAFT (DE) 1982-02-09 US claimed
EP-0000023-B1 OMEGA-SUBSTITUTED PENTYL UREAS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1980-07-23 EP claimed
US-4207325-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1980-06-10 US claimed
US-4188401-A Combating fungi with 1-(ω-substituted pentyl)-3-(2-cyano-acetyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US claimed
US-4178383-A Fungicidally active oxime-ethers of isonitrosocyanoacetamides BAYER AKTIENGESELLSCHAFT (DE) 1979-12-11 US claimed
EP-0000023-A1 Omega-substituted pentyl ureas, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 EP claimed
US-4113872-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS BAKER AKTIENGESELLSHAFT (DE) 1978-09-12 US claimed
US-4112109-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US claimed
US-4099011-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-07-04 US claimed
US-3947450-A Benzoxanthene and benzothioxanthene dicarboxylic acid imide dyestuffs and process for their manufacture HOECHST AKTIENGESELLSCHAFT (DT) 1976-03-30 US claimed

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-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TSHR 4073/4885PNMT 3185/4885CYP1A2 4837/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TSHR 4087/4885PNMT 3194/4885CYP1A2 4838/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 TSHR 4087/4885PNMT 3194/4885CYP1A2 4838/4885

“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.