SCHEMBL21783121

SCHEMBL21783121

Cc1cc(C)c(-c2cc(NC(=O)CS)n(-c3ccccc3)n2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.67
POLB P06746 3/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 5/20 0.64
GAA P10253 2/20 0.63
USP2 O75604 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL21783122 0.88 LMNA (0.70) ABCB1POLBLMNAMAPTGAA
SCHEMBL23294736 0.84 ABCB1 (0.69) ABCB1POLBLMNAMAPTGAA
SCHEMBL7934313 0.82 MAPT (0.79) POLBLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7936656 0.81 NTRK1 (0.72) LMNAMAPTGAAKMT2AALDH1A1
SCHEMBL20337820 0.81 ABCB1 (1.00) ABCB1POLBLMNAMAPTGAA
SCHEMBL7932253 0.80 LMNA (0.71) POLBLMNAMAPTGAASMN1; SMN2
SCHEMBL20337825 0.80 ABCB1 (1.00) ABCB1POLBLMNAMAPTGAA
SCHEMBL7934316 0.77 MAPT (0.61) POLBLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL16904613 0.77 ABCB1 (0.73) ABCB1POLBLMNAMAPTGAA
SCHEMBL20337833 0.77 ABCB1 (1.00) ABCB1POLBLMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013739-B2 Inhibitors of multidrug resistance transporter p-glycoprotein SOUTHERN METHODIST UNIVERSITY (US) 2021-05-25 US disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-20210134398-A1 Combinatorial Chemistry Computational System and Enhanced Selection Method NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-20200069687-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein SOUTHERN METHODIST UNIVERSITY 2020-03-05 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 (2 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-20200069687-A1 Inhibitors of Multidrug Resistance Transporter P-Glycoprotein ABCC1, ABCB1, SLC47A2 ABCB1 2/4885POLB 3510/4885LMNA 3441/4885
US-11013739-B2 Inhibitors of multidrug resistance transporter p-glycoprotein ABCC1, ABCB1, SLC47A2 ABCB1 2/4885POLB 3510/4885LMNA 3441/4885

“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.