SCHEMBL21383993

SCHEMBL21383993

Clc1ccc(Cc2ccc(Cl)c(Cl)c2)nn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
IDO1 P14902 3/20 0.44
CYP3A4 P08684 1/20 0.42
PNMT P11086 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC5A2 P31639 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HAO1 Q9UJM8 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
SCHEMBL29442874 1.00 ALDH1A1 (0.59) ALDH1A1POLBHTTIDO1CYP3A4
SCHEMBL29442805 0.84 ALDH1A1 (0.54) ALDH1A1POLBHTTCYP3A4SLC5A2
SCHEMBL21384002 0.84 ALDH1A1 (0.54) ALDH1A1POLBHTTCYP3A4SLC5A2
SCHEMBL21384161 0.76 ALDH1A1 (0.68) ALDH1A1IDO1CYP3A4PNMTTAAR1
SCHEMBL29442868 0.76 ALDH1A1 (0.68) ALDH1A1IDO1CYP3A4PNMTTAAR1
SCHEMBL14559847 0.75 ALDH1A1 (0.44) ALDH1A1SLC6A2SLC6A4SLC5A2
SCHEMBL14559844 0.75 ALDH1A1 (0.44) ALDH1A1SLC5A2
SCHEMBL3298586 0.75 IDO1 (0.64) ALDH1A1POLBHTTIDO1CYP3A4
SCHEMBL21384092 0.74 ALDH1A1 (0.64) ALDH1A1IDO1TAAR1
SCHEMBL29442786 0.74 ALDH1A1 (0.64) ALDH1A1IDO1TAAR1

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 14 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-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 ALDH1A1 293/4885POLB 3273/4885HTT 216/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885POLB 3788/4885HTT 6/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885POLB 3788/4885HTT 6/4885

“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.