SCHEMBL21396801

SCHEMBL21396801

CN(c1ccc(C(C)(C)C)cc1)c1ccnc(-c2cc(C(F)(F)F)n[nH]2)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
TGFBR1 P36897 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
MDM2 Q00987 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
SCHEMBL18674842 0.89 KMT2A (0.35) KMT2AMITFALDH1A1TP53KDM2B
SCHEMBL28748568 0.82 MDM2 (0.37) ALDH1A1MDM2
SCHEMBL18775602 0.81 KDM2B (0.32) KDM2BKDM5B
SCHEMBL1476570 0.81 PIM1 (0.35) KMT2AMITFALDH1A1TP53KDM2B
SCHEMBL18674845 0.80 PSEN1 (0.33) KDM2BKDM5B
SCHEMBL18674793 0.78 KMT2A (0.37) KMT2AMITFALDH1A1TP53MEN1
SCHEMBL18678603 0.77 KDM5B (0.32) KDM5B
SCHEMBL18678640 0.74 MAPT (0.37) KMT2AALDH1A1TP53KDM5BMEN1
SCHEMBL19098534 0.74 NOS3 (0.43) KMT2AALDH1A1MEN1TGFBR1
SCHEMBL17254410 0.73 NPSR1 (0.40) KMT2AMITFALDH1A1TP53MEN1

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-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2019-09-26 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-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF LEF1, MLLT3, CRY1 KMT2A 1248/4885MITF 130/4885ALDH1A1 159/4885

“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.