SCHEMBL2132095

SCHEMBL2132095

O=C(CCCc1ccccc1)N1CC(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.54
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ AR P10275 1/20 0.51
▸ MAPK1 P28482 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL2135979 0.91 NPC1 (0.61) TACR3NPC1SMN1; SMN2TDP1MAPT
SCHEMBL2132722 0.82 NPC1 (0.54) NPC1RAB9AARMAPK1SMN1; SMN2
SCHEMBL21018565 0.79 FAAH (0.57) NPC1RAB9AARMAPK1SMN1; SMN2
SCHEMBL9556926 0.78 NPC1 (0.57) NPC1RAB9AARMAPK1SMN1; SMN2
SCHEMBL8599293 0.78 NPC1 (0.81) NPC1RAB9AARSMN1; SMN2TDP1
SCHEMBL24533902 0.77 POLB (0.56) NPC1RAB9AARMAPK1SMN1; SMN2
SCHEMBL7730871 0.76 NPC1 (0.68) NPC1RAB9AARMAPK1SMN1; SMN2
SCHEMBL10371234 0.76 NPC1 (0.78) NPC1RAB9AARSMN1; SMN2TDP1
SCHEMBL18435561 0.76 POLB (0.71) TACR3NPC1RAB9ATDP1POLB
SCHEMBL17551531 0.75 SIGMAR1 (0.59) NPC1RAB9AARTDP1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 — — US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 — — US disclosed
US-8912329-B2 Composition for treatment of tuberculosis BioVersys AG (CH) 2014-12-16 — — US disclosed
EP-2445495-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS Bioversys AG (CH) 2012-05-02 — — EP disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 — — US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 — — US disclosed
US-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BioVersys AG (CH) 2012-04-26 — — US disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 — — WO disclosed
WO-2010149761-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS BIOVERSYS GMBH (CH) 2010-12-29 — — 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 (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-20120101080-A1 COMPOSITION FOR TREATMENT OF TUBERCULOSIS PRMT7, NCOA3, PRMT3 TACR3 1935/4885NPC1 3372/4885RAB9A 1972/4885

“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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