SCHEMBL4368624

SCHEMBL4368624

O=C(O)c1cccc(CBr)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.43
ALDH1A1 P00352 5/20 0.43
FOLH1 Q04609 2/20 0.43
ALOX15 P16050 1/20 0.43
CLCN2 P51788 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL13622162 0.83 ALDH1A1 (0.38) HMGB1ALDH1A1FOLH1ALOX15
SCHEMBL3244570 0.82 CLCN2 (0.53) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL27229008 0.82 ALDH1A1 (0.44) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL27571198 0.81 HMGB1 (0.51) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL4448226 0.80 ALDH1A1 (0.46) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL445508 0.79 FOLH1 (0.59) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL30565103 0.79 FOLH1 (0.59) HMGB1ALDH1A1FOLH1ALOX15CLCN2
SCHEMBL11322881 0.79 TSHR (0.59) ALDH1A1FOLH1ALOX15TSHRCA1
SCHEMBL6120117 0.79 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRHTTKDM4E
SCHEMBL2443197 0.79 ALDH1A1 (0.60) HMGB1ALDH1A1ALOX15TSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 HMGB1 310/4885ALDH1A1 2078/4885FOLH1 131/4885

“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.