SCHEMBL17268197

SCHEMBL17268197

CCc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ NPC1 O15118 3/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ MAPT P10636 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CACNA1B Q00975 1/20 0.55
▸ APBA1 Q02410 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ AHR P35869 1/20 0.55
▸ TXN P10599 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL20511196 0.95 TXN (0.63) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL11837292 0.84 NFKB1 (0.78) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL10851727 0.83 POLA1 (0.59) NFKB1KDM4EMAPTMEN1KMT2A
SCHEMBL9296086 0.80 NR1I2 (0.55) NFKB1KDM4EMAPTMEN1KMT2A
SCHEMBL9391146 0.80 POLA1 (0.59) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL25463662 0.79 NPC1 (0.45) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL18269844 0.79 AGPAT2 (0.57) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL28177640 0.79 CHRNA7 (0.55) NFKB1KDM4ENPC1RAB9AMAPT
SCHEMBL6536659 0.79 NPC1 (0.72) NFKB1KDM4ENPC1RAB9AMAPT
Dyrene SCHEMBL9328304 0.78 TSHR (0.75) NFKB1KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328342-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF CYANAGEN S.R.L. (IT) 2015-11-19 — — 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 (1 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-20150328342-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF KRTCAP2, DSC1, TBCD NFKB1 3850/4885KDM4E 4369/4885NPC1 588/4885

“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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