SCHEMBL4351741

SCHEMBL4351741

COc1ccc([N+](=O)[O-])c(CBr)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 4/20 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
SCHEMBL6581247 0.87 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL11404648 0.83 TDP1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL34472127 0.83 ALDH1A1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL11559751 0.81 ALDH1A1 (0.50) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6520014 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6576208 0.79 TDP1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6519971 0.79 ALDH1A1 (0.45) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL8377814 0.79 ALDH1A1 (0.55) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL11747812 0.79 NPC1 (0.42) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL30116206 0.79 ALDH1A1 (0.61) ALDH1A1TDP1L3MBTL1LMNASMN1; SMN2

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-8592131-B2 Ortho-nitrobenzyl ester compound and positive type photosensitive resin composition including the same CHEIL INDUSTRIES INC. (KR) 2013-11-26 US disclosed
US-20120156622-A1 Ortho-Nitrobenzyl Ester Compound and Positive Type Photosensitive Resin Composition Including the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-06-21 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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 (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-20120156622-A1 Ortho-Nitrobenzyl Ester Compound and Positive Type Photosensitive Resin Composition Including the Same RER1, TAS1R1, PSMA1 ALDH1A1 1407/4885TDP1 1182/4885TUBB4A 1111/4885
US-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 ALDH1A1 1900/4885TDP1 1019/4885TUBB4A 3232/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 ALDH1A1 1900/4885TDP1 1019/4885TUBB4A 3232/4885

“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.