SCHEMBL8908893

SCHEMBL8908893

Clc1ccc(CCn2ccnc2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.54
PGR P06401 2/20 0.54
CHRM2 P08172 2/20 0.54
CYP3A4 P08684 2/20 0.54
ADRA2A P08913 2/20 0.54
ADORA3 P0DMS8 2/20 0.54
CYP2D6 P10635 2/20 0.54
CHRM1 P11229 2/20 0.54
ADRB3 P13945 2/20 0.54
IDO1 P14902 2/20 0.54
ADRA2B P18089 2/20 0.54
CHRM3 P20309 2/20 0.54
TACR2 P21452 2/20 0.54
DRD1 P21728 2/20 0.54
ACHE P22303 2/20 0.54
SLC6A2 P23975 2/20 0.54
TBXAS1 P24557 2/20 0.54
HTR2A P28223 2/20 0.54
SLC6A4 P31645 2/20 0.54
CYP2C19 P33261 2/20 0.54

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
SCHEMBL11076935 0.91 LMNA (0.53) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL9748629 0.84 CYP19A1 (0.62) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL11255215 0.84 LMNA (0.50) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL20551987 0.83 CYP2C9 (0.51) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL10352849 0.83 ALDH1A1 (0.51) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL11273740 0.82 LMNA (0.54) CYP2C9CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL11708365 0.81 HMOX1 (0.61) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL11607374 0.81 ALDH1A1 (0.57) CYP3A4CYP2D6TBXAS1CYP19A1LMNA
SCHEMBL11070453 0.80 CYP2C9 (0.57) CYP2C9PGRCHRM2CYP3A4ADRA2A
SCHEMBL8444354 0.80 LMNA (0.58) CYP2C9PGRCHRM2CYP3A4ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591726-A Heterocyclylalkyl diarylboron ester and thioester fungicidal agents AMERICAN CYANAMID COMPANY (US) 1997-01-07 US claimed
US-12590963-B2 Anti-cancer treatment of preselected subjects and screening methods to identify susceptible subjects TUDAG TU DRESDEN AKTIENGESELLSCHAFT (DE) 2026-03-31 US disclosed
EP-3803402-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2023-04-26 EP disclosed
EP-3578981-B1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AG (DE) 2021-10-27 EP disclosed
US-20210231661-A1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AKTIENGESELLSCHAFT (DE) 2021-07-29 US disclosed
EP-3803402-A1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS Tudag Tu Dresden Aktiengesellschaft (DE) 2021-04-14 EP disclosed
CN-112534265-A Screening method for preselecting individual for anti-cancer treatment and identifying individual susceptible to disease TUDAG德累斯顿工业大学股份公司 2021-03-19 CN disclosed
WO-2019233779-A1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS Technische Universität Dresden (DE) 2019-12-12 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 (1 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-12590963-B2 Anti-cancer treatment of preselected subjects and screening methods to identify susceptible subjects TPM4, TPM3, TAGLN2 CYP2C9 793/4885PGR 918/4885CHRM2 2458/4885

“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.