SCHEMBL3612964

SCHEMBL3612964

Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
HSD17B10 Q99714 2/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
MAPT P10636 4/20 0.62
LMNA P02545 3/20 0.62
MEN1 O00255 2/20 0.54
BACE1 P56817 1/20 0.49
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PLA2G1B P04054 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL712713 0.83 MAPT (0.70) KMT2AHSD17B10TSHRMAPK1MAPT
Hydrochloric Acid SCHEMBL712415 0.81 MAPT (0.73) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL13692159 0.81 KMT2A (0.68) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL1703637 0.79 KMT2A (0.63) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL18235821 0.79 KMT2A (0.66) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL29442842 0.79 KMT2A (0.63) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL3591944 0.79 HSD17B10 (0.61) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL3593783 0.78 MAPT (0.68) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL3611556 0.78 MAPT (0.97) KMT2AHSD17B10TSHRMAPK1MAPT
SCHEMBL19268474 0.78 MAPT (0.68) KMT2AHSD17B10TSHRMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
EP-2144895-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2010-01-20 EP disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2009056556-A1 SUBSTITUTE 1, 6-NAPHTHYRIDINES FOR USE AS SCD INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-07 WO disclosed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO disclosed
WO-2008074824-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 WO 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 (3 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 KMT2A 3500/4885HSD17B10 326/4885TSHR 4213/4885
US-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 KMT2A 2479/4885HSD17B10 1103/4885TSHR 4679/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KMT2A 2479/4885HSD17B10 1103/4885TSHR 4679/4885

“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.