SCHEMBL6483113

SCHEMBL6483113

N#Cc1ccc(CN)c(I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.47
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ADRA2C P18825 1/20 0.36
CYP2A6 P11509 3/20 0.33
MMP3 P08254 1/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
KAT2B Q92831 1/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
Hydrochloric Acid SCHEMBL6475550 0.98 LOXL2 (0.45) LOXL2TTRALBCA12CA2
SCHEMBL27176926 0.80 TTR (0.47) LOXL2TTRALBCA12CA2
SCHEMBL5089029 0.80 TTR (0.42) LOXL2TTRALBCA12CA2
SCHEMBL1714779 0.79 IDO1 (0.48) LOXL2TTRALBCA12CA2
Hydrochloric Acid SCHEMBL1715603 0.78 IDO1 (0.50) LOXL2TTRALBCA12CA2
SCHEMBL27577154 0.77 TTR (0.39) LOXL2TTRALBCA12CA2
SCHEMBL7212186 0.76 LOXL2 (0.47) LOXL2ADRA2CCYP2A6ALDH1A1HTR2A
SCHEMBL5189317 0.76 LOXL2 (0.47) LOXL2CA12CA2CA3CA6
SCHEMBL5047708 0.76 LOXL2 (0.47) LOXL2ADRA2C
SCHEMBL27590363 0.76 LOXL2 (0.47) LOXL2TTRALBCA12CA2

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-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
CN-1198839-C Novel dipeptide amidines as thrombin inhibitors AIBET GMBH & CO KG (DE) 2005-04-27 CN disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 LOXL2 3222/4885TTR 1082/4885ALB 3605/4885

“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.