SCHEMBL20788527

SCHEMBL20788527

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ LMNA P02545 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ KMT2A Q03164 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FYN P06241 5/20 0.42
▸ PTGES O14684 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 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
SCHEMBL4330380 0.84 MAPT (0.56) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL6831160 0.80 MAPT (0.55) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL11546922 0.79 MAPT (0.76) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL3973537 0.78 MAPT (0.69) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL5763991 0.75 MAPT (0.76) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL20788520 0.75 FYN (0.46) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL20529653 0.74 MAPT (0.49) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL28002244 0.74 MAPT (0.65) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL31570099 0.74 MAPT (0.58) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL31365106 0.74 MAPT (0.68) MAPTLMNAALDH1A1KMT2ATDP1

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 MAPT 54/4885LMNA 181/4885ALDH1A1 2263/4885
US-20190076552-A1 Precursor of a histone deacetylase inhibitor PET imaging compound for tracking cerebral neurodegenerative and tumor diseases H1-3, H1-2, HDAC2 MAPT 54/4885LMNA 181/4885ALDH1A1 2263/4885

“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.

Send feedback