SCHEMBL11459769

SCHEMBL11459769

CCN(CC)c1ncnc2c1ncn2Cc1c(Cl)cccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ ALDH1A1 P00352 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ HTT P42858 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ACP1 P24666 2/20 0.44

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
SCHEMBL11462599 0.92 SMN1; SMN2 (0.84) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11454110 0.88 SMN1; SMN2 (0.79) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11471767 0.81 LMNA (0.67) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11151054 0.81 SMN1; SMN2 (0.67) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL10962832 0.79 ADORA2A (0.68) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11452052 0.79 HTT (0.67) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11459985 0.78 SMN1; SMN2 (0.64) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL11017499 0.76 PDE4A (0.65) SMN1; SMN2LMNACYP1A2CYP2D6MAPK1
SCHEMBL11454107 0.75 HTT (0.60) SMN1; SMN2LMNAALDH1A1NPSR1POLB
SCHEMBL10442061 0.73 CYP1A2 (0.61) SMN1; SMN2LMNACYP1A2CYP2D6MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948182-B1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2012-12-12 — — EP disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 — — US disclosed
US-20100226931-A1 Compounds for immunopotentiation NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-09 — — US disclosed
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2009-09-17 — — US disclosed
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain FOREVER CHEER INTERNATIONAL LIMITED (HK) 2009-09-17 — — US disclosed
WO-2007041863-A1 METHOD FOR TREATING NEURONAL AND NON-NEURONAL PAIN ZHUO MIN (CA) 2007-04-19 — — WO disclosed
US-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US 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-20100226931-A1 Compounds for immunopotentiation LY96, ICOS, PDCD1 SMN1; SMN2 3821/4885LMNA 4838/4885ALDH1A1 3995/4885
US-20090233922-A1 Method for Treating Neuronal and Non-Neuronal Pain OPRL1, ADCY1, GRIN1 SMN1; SMN2 197/4885LMNA 2735/4885ALDH1A1 603/4885

“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.

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