SCHEMBL5299192

SCHEMBL5299192

O=c1oc(-c2ccccc2Br)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 8/20 1.00
KMT2A Q03164 4/20 1.00
F2 P00734 3/20 0.68
PLG P00747 1/20 0.68
KLK1 P06870 1/20 0.68
PRSS1 P07477 1/20 0.68
C1S P09871 1/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
ELANE P08246 4/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
RXFP1 Q9HBX9 1/20 0.63
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 1/20 0.61
PTK2B Q14289 1/20 0.61
MEN1 O00255 3/20 0.61
MAPT P10636 2/20 0.61

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
SCHEMBL29791056 0.88 C1R (0.78) C1RKMT2AF2PLGKLK1
SCHEMBL9475884 0.88 C1R (0.78) C1RKMT2AF2PLGKLK1
SCHEMBL18963257 0.86 C1R (0.76) C1RKMT2AF2PLGKLK1
SCHEMBL9475739 0.86 C1R (0.76) C1RKMT2AF2PLGKLK1
SCHEMBL30914649 0.84 ELANE (0.73) C1RKMT2AF2PLGKLK1
SCHEMBL2537274 0.84 ELANE (0.73) C1RKMT2AF2PLGKLK1
SCHEMBL914556 0.83 C1R (0.72) C1RKMT2AF2PLGKLK1
SCHEMBL9986010 0.83 APEX1 (0.72) C1RKMT2AF2PLGKLK1
SCHEMBL272287 0.82 ELANE (0.81) C1RKMT2AF2PLGKLK1
SCHEMBL2816912 0.82 C1R (0.69) C1RKMT2AF2PLGKLK1

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
EP-1696927-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
EP-1696927-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065183-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-21 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-20070060601-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B C1R 4812/4885KMT2A 390/4885F2 4855/4885

“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.