SCHEMBL12136826

SCHEMBL12136826

CCCC(C)c1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HDAC1 Q13547 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GCG P01275 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ F10 P00742 4/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39

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
SCHEMBL12136828 0.83 RAB9A (0.46) RXFP1NPSR1HDAC1NPC1RAB9A
SCHEMBL12136829 0.83 MEN1 (0.48) NPC1RAB9AGCGMEN1KMT2A
SCHEMBL12136748 0.79 RAB9A (0.59) RXFP1KDM4ENPSR1NPC1RAB9A
SCHEMBL14372263 0.77 MEN1 (0.50) RXFP1NPSR1NPC1RAB9APOLB
SCHEMBL12136827 0.74 MAPT (0.47) RXFP1KDM4EMEN1KMT2AMAPT
SCHEMBL14082233 0.73 KDM4E (0.70) RXFP1KDM4ENPSR1NPC1RAB9A
SCHEMBL14082429 0.71 RXFP1 (0.60) RXFP1KDM4ENPSR1NPC1RAB9A
SCHEMBL14083020 0.70 SMN1; SMN2 (0.51) RXFP1KDM4ENPSR1NPC1RAB9A
SCHEMBL14082683 0.69 RXFP1 (0.56) RXFP1KDM4ENPSR1HDAC1NPC1
SCHEMBL14075262 0.67 SMN1; SMN2 (0.62) KDM4ENPSR1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 — — 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO RXFP1 2462/4885KDM4E 892/4885NPSR1 4097/4885

“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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