SCHEMBL1098322

SCHEMBL1098322

CCCCCCCC(Cl)(Cl)CCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
FDPS P14324 10/20 0.42
SMPD1 P17405 2/20 0.42
GGPS1 O95749 6/20 0.40

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
SCHEMBL2166623 1.00 LMNA (0.48) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL29151786 0.98 SMN1; SMN2 (0.46) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL7508589 0.91 LMNA (0.62) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL3346971 0.87 TSHR (0.50) ALDH1A1TSHRFDPSSMPD1GGPS1
SCHEMBL1639544 0.87 TSHR (0.50) ALDH1A1TSHRFDPSSMPD1GGPS1
Trifluoroacetic Acid SCHEMBL7991180 0.85 CES2 (0.49) HSD17B10MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5382441 0.85 CES2 (0.49) HSD17B10MEN1KMT2A
SCHEMBL27778757 0.85 TSHR (0.47) ALDH1A1TSHRFDPSSMPD1GGPS1
SCHEMBL398718 0.83 TSHR (0.43) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL5862701 0.83 TSHR (0.43) LMNAALDH1A1TSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759564-B2 Amidoacetonitrile compounds having pesticidal activity NOVARTIS AG (CH) 2014-06-24 US disclosed
EP-2301931-B1 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-10-16 EP disclosed
US-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY NOVARTIS AG (CH) 2012-09-13 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
EP-2301931-A1 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2011-03-30 EP disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
CN-101410389-A Organic compounds NOVARTIS AG (CH) 2009-04-15 CN disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 WO disclosed
EP-0948483-B1 FARNESYL TRANSFERASE INHIBITORS AVENTIS PHARMA SA (FR) 2002-03-13 EP disclosed
EP-1042329-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL, COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES Aventis Pharma S.A. (FR) 2000-10-11 EP disclosed
CN-1242000-A Farnesyl transferase inhibitors RHONE POULENC RORER SA (FR) 2000-01-19 CN disclosed
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
WO-1999033834-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES AVENTIS PHARMA S.A. (FR) 1999-07-08 WO disclosed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 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 (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-20120232138-A1 AMIDOACETONITRILE COMPOUNDS HAVING PESTICIDAL ACTIVITY ACHE, NAAA, NIT2 LMNA 936/4885ALDH1A1 2992/4885TSHR 2329/4885
US-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 LMNA 1104/4885ALDH1A1 215/4885TSHR 4482/4885

“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.