SCHEMBL9976123

SCHEMBL9976123

NCC1=NCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PNMT P11086 1/20 0.39
▸ NOS3 P29474 3/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ HTR5A P47898 3/20 0.37
▸ HTR2A P28223 2/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ DPP4 P27487 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL11923501 0.81 TSHR (0.50) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL22995932 0.80 KDM4E (0.63) TSHRALDH1A1KDM4EPNMTNOS3
SCHEMBL30952113 0.80 KDM4E (0.63) TSHRALDH1A1KDM4EPNMTNOS3
SCHEMBL22431952 0.79 TSHR (0.48) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL20356526 0.75 TSHR (0.44) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL16456042 0.75 TSHR (0.44) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL6703737 0.71 CA1 (0.40) TSHR
SCHEMBL1194687 0.71 TSHR (0.95) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL31703623 0.71 TSHR (0.95) TSHRALDH1A1KDM4ENOS3NOS2
SCHEMBL8170948 0.71 TSHR (0.54) TSHRALDH1A1KDM4ENOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9412955-B2 Fluorescent isoindoline dyes UNIVERSAL DISPLAY CORPORATION (US) 2016-08-09 — — US disclosed
US-20150318494-A1 Fluorescent Isoindoline Dyes UNIV SOUTHERN CALIFORNIA (US) 2015-11-05 — — US disclosed
US-9079885-B2 Fluorescent isoindoline dyes THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2015-07-14 — — US disclosed
US-20120153266-A1 FLUORESCENT ISOINDOLINE DYES THE UNIVERSITY OF SOUTHERN CALIFORNIA 2012-06-21 — — 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-20150318494-A1 Fluorescent Isoindoline Dyes OCIAD1, OCIAD2, OXA1L TSHR 4746/4885ALDH1A1 1077/4885KDM4E 3497/4885
US-20120153266-A1 FLUORESCENT ISOINDOLINE DYES OCIAD1, OCIAD2, OXA1L TSHR 4746/4885ALDH1A1 1077/4885KDM4E 3497/4885

“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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