SCHEMBL13580887

SCHEMBL13580887

CC(C)(C)c1ccc(C(Nc2ccc(Br)cc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.59
▸ RCE1 Q9Y256 4/20 0.53
▸ MEN1 O00255 3/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ S1PR3 Q99500 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ TEAD4 Q15561 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ GOPC Q9HD26 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37

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
SCHEMBL28405143 0.90 RCE1 (0.61) KMT2ARCE1MEN1SMN1; SMN2MAPT
SCHEMBL28359204 0.85 KMT2A (0.77) KMT2ARCE1MEN1CNR1S1PR3
SCHEMBL13580881 0.79 NR1H4 (0.42) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL2644697 0.77 RCE1 (0.38) KMT2ARCE1MEN1LMNANR1H4
Bromobenzene SCHEMBL9230161 0.75 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2MAPTMAPK1
SCHEMBL12974482 0.75 ALDH1A1 (0.59) RCE1MAPK1LMNAALDH1A1NR1H4
SCHEMBL240963 0.74 ALDH1A1 (0.53) KMT2ARCE1MEN1SMN1; SMN2MAPT
SCHEMBL15457872 0.74 NR1H4 (0.34) KMT2ARCE1MEN1SMN1; SMN2MAPT
SCHEMBL13580884 0.74 ALDH1A1 (0.37) KMT2ARCE1ALDH1A1HDAC1
SCHEMBL28407865 0.73 KMT2A (0.51) KMT2ARCE1MEN1S1PR3SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 — — US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 — — 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-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 KMT2A 2586/4885RCE1 378/4885MEN1 210/4885

“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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