SCHEMBL21750707

SCHEMBL21750707

CN1c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)CC1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 12/20 1.00
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL21750653 0.80 HSPA9 (1.00) HSPA9ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL21750765 0.79 HSPA9 (1.00) HSPA9ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL21750781 0.78 HSPA9 (0.63) HSPA9ALDH1A1SMN1; SMN2KMT2AMEN1
Sheta-2 SCHEMBL13417328 0.77 HSPA9 (1.00) HSPA9ALDH1A1SMN1; SMN2CA1CA2
Sheta-2 SCHEMBL29383115 0.77 HSPA9 (1.00) HSPA9ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL21750820 0.77 HSPA9 (0.63) HSPA9ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL21750692 0.74 HSPA9 (0.59) HSPA9ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL6301912 0.74 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL14633632 0.74 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL21750647 0.73 HSPA9 (1.00) HSPA9ALDH1A1SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US claimed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 US claimed
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2024-05-28 US disclosed
US-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-06-03 US disclosed
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 2021-03-16 US disclosed
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY 2020-02-27 US 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 (4 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-20210163415-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT HSPA9 2213/4885ALDH1A1 4089/4885SMN1; SMN2 4480/4885
US-10947198-B2 Chroman-substituted, tetrahydroquinoline-substituted and thiochroman-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, XPOT HSPA9 2213/4885ALDH1A1 4089/4885SMN1; SMN2 4480/4885
US-11993573-B2 Chromane-substituted, tetrahydroquinoline-substituted and thiochromane-substituted heteroarotinoids as anti-cancer agents HCCS, CDYL, CDYL2 HSPA9 3140/4885ALDH1A1 3983/4885SMN1; SMN2 4516/4885
US-20200062711-A1 CHROMAN-SUBSTITUTED, TETRAHYDROQUINOLINE-SUBSTITUTED AND THIOCHROMAN-SUBSTITUTED HETEROAROTINOIDS AS ANTI-CANCER AGENTS HCCS, CDYL, XPOT HSPA9 2213/4885ALDH1A1 4089/4885SMN1; SMN2 4480/4885

“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.