SCHEMBL1702494

SCHEMBL1702494

O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MAPT P10636 3/20 0.64
▸ HTT P42858 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ GAA P10253 1/20 0.60
▸ HPGD P15428 2/20 0.59
▸ LMNA P02545 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ TP53 P04637 1/20 0.53

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
SCHEMBL6279617 0.91 L3MBTL1 (0.58) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6274384 0.88 ALDH1A1 (0.64) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL13547708 0.86 ALDH1A1 (0.62) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6278534 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6279104 0.85 ALDH1A1 (0.70) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL1702962 0.84 ALDH1A1 (0.66) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6274361 0.84 ALDH1A1 (0.70) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL13547675 0.83 ALDH1A1 (0.76) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6278157 0.82 KMT2A (0.66) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL6412016 0.81 ALDH1A1 (0.64) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A

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
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 — — EP disclosed
EP-1569919-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-04-18 — — EP disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — US disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 — — US disclosed
US-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-10 — — 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 (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-20050054639-A1 Non-nucleoside reverse transcriptase inhibitors NAT1, SUB1, RTF2 ALDH1A1 1533/4885HSD17B10 669/4885SMN1; SMN2 2325/4885

“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.

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