SCHEMBL3242528

SCHEMBL3242528

CCN(Cc1ccccc1)c1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ S1PR1 P21453 4/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ MAPK11 Q15759 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL3245775 0.92 SMN1; SMN2 (0.40) ENPP2NR1H2NR1H3ESR1ESR2
SCHEMBL3242168 0.90 CHRM2 (0.38) ENPP2TSHRNR1H2NR1H3ESR1
SCHEMBL3238260 0.89 L3MBTL1 (0.45) ENPP2NPC1TP53SMN1; SMN2CASR
SCHEMBL3232567 0.87 S1PR1 (0.41) ENPP2S1PR1PTGDR2
SCHEMBL3242834 0.86 ESR1 (0.36) ENPP2TSHRESR1ESR2NPC1
SCHEMBL3246273 0.85 CRHR1 (0.38) ENPP2TSHRESR1ESR2NPC1
SCHEMBL3240151 0.85 SMN1; SMN2 (0.45) TSHRESR1ESR2NPC1USP2
SCHEMBL3246733 0.79 ALDH1A1 (0.45) NR1H2NR1H3NPC1RAB9ASMN1; SMN2
SCHEMBL3246833 0.78 CALM1 (0.40) TP53SMN1; SMN2DYRK1AKMT2A
SCHEMBL1369219 0.78 ENPP2 (0.42) ENPP2TSHRESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 — — US disclosed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — 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 (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-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 ENPP2 1146/4885TSHR 1839/4885NR1H2 1174/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ENPP2 778/4885TSHR 2802/4885NR1H2 313/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ENPP2 778/4885TSHR 2802/4885NR1H2 313/4885

“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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