SCHEMBL5105541

SCHEMBL5105541

CCC(Br)Oc1ccc(OC(Br)CC)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ USP2 O75604 3/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ DUSP3 P51452 1/20 0.55
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ ADORA2A P29274 3/20 0.46
▸ THRB P10828 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ FGB P02675 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ APAF1 O14727 3/20 0.43

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
SCHEMBL5099140 0.83 MAPT (0.51) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5105351 0.81 MAPT (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL28885234 0.79 KCNA3 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13998834 0.78 MAPT (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3439640 0.78 MAPT (0.62) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5105349 0.78 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL17911626 0.77 CA12 (0.36) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL31495885 0.75 MAPT (0.58) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14012738 0.75 MAPT (0.73) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5105540 0.74 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259858-A1 Novel bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-11-08 — — US claimed
US-7465724-B2 Bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-12-16 — — US disclosed
US-20070259858-A1 Novel bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-11-08 — — 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-20070259858-A1 Novel bis-pyrrolo[2,1-c][1,4]benzodiazepine-anthraquinone conjugates and a process for the preparation thereof GABRA4, GABRA1, GABRA5 MAPT 3801/4885ALDH1A1 226/4885MEN1 1357/4885

“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.

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