SCHEMBL6724628

SCHEMBL6724628

[CH2]CNOCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA9 Q16790 8/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TSHR P16473 4/20 0.40
RECQL P46063 2/20 0.40
THRB P10828 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX2 P34913 1/20 0.40
BLM P54132 1/20 0.40
EPHX1 P07099 1/20 0.39

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
SCHEMBL9469657 1.00 CA1 (0.41) CA1CA2CA9CA12CA7
SCHEMBL6718314 0.97
SCHEMBL6729002 0.92
SCHEMBL10606108 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL9766772 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL1109711 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL10520128 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL18628622 0.82 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL6729065 0.82
SCHEMBL11519105 0.82 CA1 (0.43) CA1CA2CA9CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CA1 222/4885CA2 190/4885CA9 842/4885

“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.