SCHEMBL6230596

SCHEMBL6230596

O=CN(c1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.34
GPBAR1 Q8TDU6 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL6226289 0.82 MAPK13 (0.35) HSD17B10MAPTALDH1A1ALOX15MEN1
SCHEMBL28869065 0.80 TSHR (0.42) HSD17B10MAPTALDH1A1ALOX15MEN1
SCHEMBL3096128 0.80 HSD17B10 (0.46) HSD17B10MAPTALDH1A1ALOX15TDP1
SCHEMBL3893391 0.76 NFE2L2 (0.39) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL447207 0.74 KDM4E (0.36) ALDH1A1NPC1RAB9ACYP3A4CYP2C19
SCHEMBL15422672 0.71 TSHR (0.36) HSD17B10GPBAR1MAPTALDH1A1ALOX15
SCHEMBL28754527 0.70 ALDH1A1 (0.33) HSD17B10MAPTALDH1A1ALOX15MEN1
SCHEMBL3189734 0.69 ALDH1A1 (0.31) ALDH1A1ALOX15MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL11158766 0.69 MAPT (0.41) HSD17B10MAPTALDH1A1MEN1KMT2A
SCHEMBL10352603 0.68 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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 (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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSD17B10 265/4885GPBAR1 46/4885MAPT 4100/4885

“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.