SCHEMBL12435101

SCHEMBL12435101

O=C(NC1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 7/20 0.65
POLB P06746 1/20 0.53
CKS1B P61024 1/20 0.53
SKP1 P63208 1/20 0.53
SKP2 Q13309 1/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
HTT P42858 1/20 0.51
SLC6A12 P48065 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
MCHR1 Q99705 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
PAK1 Q13153 1/20 0.51
KDR P35968 1/20 0.50
CCR3 P51677 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
Hydrochloric Acid SCHEMBL1268376 0.99 SMO (0.64) SMOPOLBCKS1BSKP1SKP2
SCHEMBL12435127 0.92 SMO (0.61) SMOCKS1BSKP1SKP2GAA
SCHEMBL12435117 0.91 SMO (0.54) SMOGAANPSR1HTTSLC6A12
Hydrochloric Acid SCHEMBL2205497 0.90 SMO (0.53) SMOGAANPSR1HTTSLC6A12
SCHEMBL12435121 0.85 SMO (0.55) SMOCKS1BSKP1SKP2GAA
Hydrochloric Acid SCHEMBL1268247 0.85 SMO (0.55) SMOCKS1BSKP1SKP2GAA
SCHEMBL4257505 0.81 SMO (0.57) SMOPOLBNPSR1HTTKDR
SCHEMBL1267484 0.81 NPSR1 (0.59) SMONPSR1HTTMEN1KMT2A
Hydrochloric Acid SCHEMBL1267654 0.80 NPSR1 (0.58) SMONPSR1HTTMEN1KMT2A
SCHEMBL12435091 0.79 SMO (0.62) SMONPSR1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 US disclosed
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 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 (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-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO SMO 3/4885POLB 4524/4885CKS1B 745/4885

“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.