SCHEMBL1120157

SCHEMBL1120157

CCCCC/N=C/c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.49
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 3/20 0.46
CA12 O43570 6/20 0.44
CA9 Q16790 5/20 0.44
TAAR1 Q96RJ0 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EZH2 Q15910 1/20 0.40
FAAH O00519 1/20 0.39
EGFR P00533 1/20 0.38
CNR1 P21554 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
SCHEMBL1120158 1.00 CA2 (0.49) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL7915160 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL9007163 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL7901399 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL7901402 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL1880843 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL1880842 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL8084586 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL7915158 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12
SCHEMBL12391382 0.98 LMNA (0.48) CA2ALDH1A1KMT2ALMNACA12

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144919-B1 MULTI STEP SYNTHESIS OF IBANDRONATE HOFFMANN LA ROCHE (CH) 2015-12-02 EP claimed
EP-1807090-B9 PROCESS FOR THE PREPARATION OF IBANDRONATE HOFFMANN LA ROCHE (CH) 2011-11-09 EP claimed
EP-1807090-B1 PROCESS FOR THE PREPARATION OF IBANDRONATE HOFFMANN LA ROCHE (CH) 2011-02-09 EP claimed
JP-2010523614-A 2010-07-15 JP claimed
US-7662990-B2 Process for preparing ibandronate HOFFMANN-LA ROCHE INC. (US) 2010-02-16 US claimed
EP-2144919-A2 MULTI STEP SYNTHESIS OF IBANDRONATE F. Hoffmann-Roche AG (CH) 2010-01-20 EP claimed
WO-2008125483-A2 MULTI STEP SYNTHESIS OF IBANDRONATE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-23 WO claimed
US-20080255386-A1 PROCESS FOR PREPARING IBANDRONATE F. HOFFMAN-LA ROCHE AG (CH) 2008-10-16 US claimed
EP-1807090-A2 PROCESS FOR THE PREPARATION OF IBANDRONATE F. Hoffmann-La Roche AG (CH) 2007-07-18 EP claimed
US-7214818-B2 Method for synthesizing bisphosphonate HOFFMANN-LA ROCHE INC. (US) 2007-05-08 US claimed
WO-2006045578-A2 PROCESS FOR THE PREPARATION OF IBANDRONATE F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO claimed
US-20060094898-A1 Method for synthesizing bisphosphonate F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 US claimed
US-9469715-B2 Method for producing formaldehyde/CO2 copolymers COVESTRO DEUTSCHLAND AG (DE) 2016-10-18 US disclosed
EP-2144919-B1 MULTI STEP SYNTHESIS OF IBANDRONATE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
EP-2144919-B1 MULTI STEP SYNTHESIS OF IBANDRONATE HOFFMANN LA ROCHE (CH) 2015-12-02 EP disclosed
US-20150337070-A1 METHOD FOR PRODUCING FORMALDEHYDE/CO2 COPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2015-11-26 US disclosed
WO-2006045578-A2 PROCESS FOR THE PREPARATION OF IBANDRONATE F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060094898-A1 Method for synthesizing bisphosphonate F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 US disclosed
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 EP disclosed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 EP 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 (2 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-20060094898-A1 Method for synthesizing bisphosphonate BPGM, PHPT1, PPIP5K2 CA2 566/4885ALDH1A1 1800/4885KMT2A 2945/4885
US-20080255386-A1 PROCESS FOR PREPARING IBANDRONATE BPGM, MVD, PPIP5K2 CA2 1484/4885ALDH1A1 1197/4885KMT2A 3429/4885

“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.