SCHEMBL10024500

SCHEMBL10024500

O=C(O)c1cc([N+](=O)[O-])ccc1SCC(O)C(O)CS

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TRPA1 O75762 1/20 0.38

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
SCHEMBL10024460 0.89 HTT (0.47) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL10024448 0.88 HTT (0.49) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL10055061 0.85 HTT (0.44) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL10024472 0.83 HTT (0.44) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL16063177 0.79 MAPT (0.41) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL28168037 0.77 HTT (0.57) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL11794829 0.77 APEX1 (0.57) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL9659388 0.76 ALDH1A1 (0.55) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL3464421 0.75 ALDH1A1 (0.54) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL11824126 0.75 KMT2A (0.59) TP53HTTALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-9732382-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2017-08-15 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-20150079603-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES CALIFORNIA (US) 2015-03-19 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
US-8834847-B2 Photodamage mitigation compounds and systems PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-09-16 — — US disclosed
US-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2012-03-01 — — 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-20120052488-A1 PHOTODAMAGE MITIGATION COMPOUNDS AND SYSTEMS CRY1, ERCC1, ERCC4 TP53 297/4885HTT 385/4885ALDH1A1 814/4885

“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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