SCHEMBL9680116

SCHEMBL9680116

Nc1nc(Cl)nc(F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.31
CDK1 P06493 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL9181490 0.80 ALDH1A1 (0.47) ALDH1A1ALOX15TSHR
SCHEMBL9336420 0.79 MEN1 (0.31) MEN1GAAKMT2A
SCHEMBL15816938 0.79 MEN1 (0.31) MEN1GAAKMT2A
SCHEMBL10871601 0.74 MEN1 (0.34) MEN1GAAKMT2A
SCHEMBL9471045 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15TSHR
SCHEMBL1182747 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15TSHRHTTCDK1
SCHEMBL3569028 0.69 MEN1 (0.37) MEN1GAAKMT2A
SCHEMBL19754271 0.68 IDO1 (0.41) ALDH1A1ALOX15TSHRHTTCDK1
SCHEMBL20267103 0.68 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRHTTCDK1
SCHEMBL18562671 0.68 MEN1 (0.34) MEN1GAAKMT2A

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-10550277-B2 Ink composition, ink set, and recording method SEIKO EPSON CORPORATION (JP) 2020-02-04 US disclosed
US-5128455-A WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
US-4948879-A Monoazo compounds containing a fiber-reactive group and an oxazolopyridone or oxazinopyridone coupling component HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-14 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 (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-10550277-B2 Ink composition, ink set, and recording method IK, CD99, MKI67 ALDH1A1 117/4885ALOX15 3554/4885TSHR 4845/4885

“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.