SCHEMBL13622156

SCHEMBL13622156

O=C(Cl)c1cccc(CBr)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.38
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
PTPN1 P18031 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
P2RX7 Q99572 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HMGB1 P09429 1/20 0.33
PNMT P11086 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
PTPRC P08575 1/20 0.32
PTPRG P23470 1/20 0.32
NPC1 O15118 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
SCHEMBL28944666 0.85 ALDH1A1 (0.37) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL30452631 0.85 TSHR (0.57) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL1246006 0.85 TSHR (0.57) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL6905440 0.82 GABRA1 (0.45) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL28780507 0.82 ALDH1A1 (0.32) ALDH1A1ALOX15
SCHEMBL27568011 0.82 ALDH1A1 (0.41) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL1792164 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15TSHRPTPN1CES2
SCHEMBL28036645 0.81 IDO1 (0.42) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL28780385 0.79 ALDH1A1 (0.38) ALDH1A1ALOX15TSHRERCC5FEN1
SCHEMBL13622162 0.79 ALDH1A1 (0.38) ALDH1A1ALOX15PTPN1HMGB1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145693-B Preparation method of imatinib CHENGDU BAIYU SCIENCE & TECHNOLOGY PHARMACEUTICAL CO LTD 2015-04-29 CN claimed
CN-110526859-A A kind of preparation method of Rui Weina new intermediate and preparation method thereof and Rui Weinaxin SHANDONG BESTCOMM PHARMACEUTICAL CO LTD 2019-12-03 CN disclosed
CN-108570012-A 1,3- benzoxazines -2,4 (3H)-derovatives and its preparation method and use 中南大学 2018-09-25 CN disclosed
CN-103145693-B Preparation method of imatinib CHENGDU BAIYU SCIENCE & TECHNOLOGY PHARMACEUTICAL CO LTD 2015-04-29 CN disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 ALDH1A1 2078/4885ALOX15 1871/4885TSHR 4563/4885

“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.