SCHEMBL16053347

SCHEMBL16053347

COc1cc(C(=O)O)c([N+](=O)[O-])cc1OCCCCCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 5/20 0.56
▸ CTSL P07711 5/20 0.56
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HTR1A P08908 1/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SRD5A1 P18405 2/20 0.47
▸ SRD5A2 P31213 2/20 0.47
▸ MRGPRX4 Q96LA9 1/20 0.46

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
SCHEMBL873861 0.94 CTSV (0.60) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL159283 0.94 CTSV (0.60) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL19035902 0.91 CTSV (0.57) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL2468068 0.89 HTT (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29620246 0.89 HTT (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8316504 0.88 CTSV (0.61) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL38657998 0.87 LMNA (0.64) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL31151917 0.86 CTSV (0.53) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL340310 0.86 MEN1 (0.56) CTSVCTSLMEN1KMT2AALDH1A1
SCHEMBL13936617 0.86 MEN1 (0.56) CTSVCTSLMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof MEDIMMUNE LIMITED (GB) 2019-01-29 — — US disclosed
EP-2968585-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LTD (GB) 2018-07-18 — — EP disclosed
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-11-30 — — US disclosed
EP-3193940-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF Medimmune Limited (GB) 2017-07-26 — — EP disclosed
WO-2016037644-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2016-03-17 — — WO disclosed
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN LIMITED (GB) 2016-02-04 — — US disclosed
EP-2968585-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2016-01-20 — — EP disclosed
WO-2014140174-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF SPIROGEN SÀRL (CH) 2014-09-18 — — WO 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-10188746-B2 Pyrrolobenzodiazepines and conjugates thereof CD22, GABRA1, CCNB1 CTSV 1931/4885CTSL 935/4885MEN1 1037/4885
US-20160031887-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF GABRA3, GABRA4, AVPR1B CTSV 3266/4885CTSL 1696/4885MEN1 1354/4885
US-20170340752-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD22, GABRA1, CCNB1 CTSV 1931/4885CTSL 935/4885MEN1 1037/4885

“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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