SCHEMBL6836877

SCHEMBL6836877

N#CC(C(=O)Cl)=C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL4545218 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL2449598 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL18726773 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL6622150 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL11417303 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL5641654 0.74 SMN1; SMN2 (0.51) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL15804810 0.74 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL5642488 0.71 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1RAB9AGAA
SCHEMBL15804830 0.71 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1HSD17B10NPC1
SCHEMBL362584 0.70 MEN1 (0.56) SMN1; SMN2LMNAALDH1A1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388124-B2 Ingenol-3-acylates I LEO LABORATORIES LIMITED (IE) 2016-07-12 US disclosed
US-20130324600-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-12-05 US disclosed
EP-2655311-A1 INGENOL-3-ACYLATES I LEO LABORATORIES LIMITED (IE) 2013-10-30 EP disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PFIZER INC 2004-09-16 US disclosed
US-6713482-B2 SUCH AS (E)-1-(2-PYRIDYL)-2-STYRYL-1H-BENZIMIDAZOLE; ANTIINFLAMMATORY AND ANALGESIC AGENTS; PROSTAGLANDIN INHIBITORS PFIZER INC. 2004-03-30 US disclosed
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors OKUMURA YOSHIYUKI (JP) 2003-01-16 US disclosed
EP-0937722-B1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER (US) 2002-07-03 EP disclosed
US-6310079-B1 NON-STEROIDAL ANTIINFLAMMATORY AGENTS PFIZER INC. 2001-10-30 US disclosed
EP-0937722-A1 Benzimidazole derivatives as cyclooxygenase-2 inhibitors PFIZER INC. (US) 1999-08-25 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 (3 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-20130324600-A1 INGENOL-3-ACYLATES I CXCL8, MMP8, CASP8 SMN1; SMN2 4085/4885LMNA 1538/4885ALDH1A1 897/4885
US-20030013886-A1 Benzimidazole cyclooxygenase-2 inhibitors PTGS1, CBR1, CBR3 SMN1; SMN2 3664/4885LMNA 3941/4885ALDH1A1 209/4885
US-20040181062-A1 Benzimidazole cyclooxygenase-2 inhibitor PTGS1, CBR1, CBR3 SMN1; SMN2 3467/4885LMNA 3843/4885ALDH1A1 203/4885

“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.