SCHEMBL17540396

SCHEMBL17540396

NC(=O)c1cc(I)cc(NC=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 8/20 0.40
MAP2K1 Q02750 8/20 0.40
KDM5A P29375 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DGAT1 O75907 1/20 0.31
ROCK2 O75116 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL17540401 0.83 KDM5A (0.33) MAP2K2MAP2K1KDM5AKDM4ENPC1
SCHEMBL17540395 0.81 DGAT1 (0.41) MAP2K2MAP2K1KDM5AKDM4ENPC1
SCHEMBL16122058 0.78 MAP2K2 (0.42) MAP2K2MAP2K1KDM4EALDH1A1DGAT1
SCHEMBL17540400 0.77 MAPT (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL17540384 0.73 KDM4E (0.44) KDM4ENPC1ALDH1A1PKMRAB9A
SCHEMBL17761393 0.73 MAP2K1 (0.46) MAP2K2MAP2K1DGAT1ROCK2
SCHEMBL17540399 0.67 CA1 (0.34) KDM5A
SCHEMBL2612359 0.65 KDM4E (0.58) KDM4ENPC1ALDH1A1PKMRAB9A
SCHEMBL19532029 0.65 MAP2K2 (0.37) MAP2K2MAP2K1DGAT1
SCHEMBL7806435 0.65 KDM5A (0.45) KDM5AKDM4ENPC1ALDH1A1PKM

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-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 MAP2K2 2978/4885MAP2K1 3209/4885KDM5A 3063/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 MAP2K2 2978/4885MAP2K1 3209/4885KDM5A 3063/4885

“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.