SCHEMBL17429591

SCHEMBL17429591

N=C(Cc1cc(Cl)ccc1Br)c1ccc(Cl)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
ALOX15 P16050 3/20 0.41
IDO1 P14902 3/20 0.41
MAPT P10636 2/20 0.41
SLC22A1 O15245 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSPD1 P10809 1/20 0.41
HSPA5 P11021 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17429599 0.81 ALOX15 (0.41) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL17429590 0.81 MAPT (0.44) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL17740977 0.81 ALOX15 (0.38) HTTHIF1ACYP3A4HPGDKMT2A
SCHEMBL30253993 0.81 ALOX15 (0.38) HTTHIF1ACYP3A4HPGDKMT2A
SCHEMBL17429589 0.79 HPGD (0.36) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL18291895 0.75 MEN1 (0.35) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL17429601 0.72 ALDH1A1 (0.37) HIF1ACYP3A4HPGDALOX15MAPT
SCHEMBL29761218 0.69 KEAP1 (0.50) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL1614038 0.69 KEAP1 (0.50) HTTHIF1ACYP3A4MEN1HPGD
SCHEMBL27033373 0.69 MAPT (0.39) HTTHIF1ACYP3A4MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202401-B2 Process for making tetracyclic heterocycle compounds MSD R&D CN CO., LTD (CN) 2019-02-12 US disclosed
US-10202401-B2 Process for making tetracyclic heterocycle compounds MSD R&D CN CO., LTD (CN) 2019-02-12 US disclosed
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARPE & DOHME CORP. (US) 2018-03-08 US disclosed
US-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MSD R&D (CHINA) CO., LTD (CN) 2017-06-15 US disclosed
US-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MSD R&D (CHINA) CO., LTD (CN) 2017-06-15 US disclosed
US-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MSD R&D (CHINA) CO., LTD (CN) 2017-06-15 US disclosed
WO-2016004899-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2016-01-14 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-10202401-B2 Process for making tetracyclic heterocycle compounds CYP1B1, CYP1A2, CYP2F1 HTT 626/4885HIF1A 2293/4885CYP3A4 7/4885
US-20170166586-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1A2, CYP3A5, CYP1B1 HTT 503/4885HIF1A 2472/4885CYP3A4 6/4885
US-20180065985-A1 PROCESS FOR MAKING TETRACYCLIC HETEROCYCLE COMPOUNDS CYP1B1, CYP1A2, CYP2F1 HTT 626/4885HIF1A 2293/4885CYP3A4 7/4885

“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.