SCHEMBL20788518

SCHEMBL20788518

COCOc1ccc(-c2ccc([N+](=O)[O-])c(NC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.61
▸ ABCC1 P33527 6/20 0.59
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ HDAC2 Q92769 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HCAR3 P49019 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL20788513 0.82 HDAC2 (0.76) HDAC2
SCHEMBL1066697 0.78 ABCB1 (0.60) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL16180104 0.76 ABCB1 (1.00) ABCB1ABCC1MAPK1ALDH1A1
SCHEMBL4581161 0.75 ABCB1 (0.57) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL3116240 0.74 POLB (0.64) ABCB1ABCC1NPC1RAB9AMAPK1
SCHEMBL28081760 0.74 ALDH1A1 (0.47) NPC1RAB9AMAPK1SMN1; SMN2MAPT
SCHEMBL20788527 0.73 MAPT (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL20788520 0.72 FYN (0.46) ABCB1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6170252 0.72 KMT2A (0.60) ABCB1NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL4314789 0.72 ABCB1 (0.55) ABCB1ABCC1NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — US claimed
US-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, ATOMIC ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-12-17 — — US disclosed
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases INSTITUTE OF NUCLEAR ENERGY RESEARCH, NUCLEAR ENERGY COUNCIL, EXECUTIVE YUAN (TW) 2019-03-14 — — 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-10507250-B2 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 ABCB1 3199/4885ABCC1 4584/4885NPC1 474/4885
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 ABCB1 3199/4885ABCC1 4584/4885NPC1 474/4885

“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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