SCHEMBL2074720

SCHEMBL2074720

c1ccc2c(N3CCSC3)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.54
TSHR P16473 2/20 0.54
HTR2A P28223 2/20 0.54
HTR7 P34969 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
NCF1 P14598 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
MTOR P42345 1/20 0.54
HTR5A P47898 1/20 0.54
HTR6 P50406 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL4718754 0.89 HTR1A (0.62) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL9643856 0.78 HTR1A (0.74) HTR1ATSHRHTR2AHTR7HTR3A
Hydrochloric Acid SCHEMBL7203515 0.77 KDM4E (0.75) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL569714 0.75 HTR1A (0.69) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL1876619 0.75 NCF1 (0.69) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL3096278 0.74 MTNR1B (0.47) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL4718861 0.74 PRKDC (0.55) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL3080094 0.73 NCF1 (0.67) HTR1ATSHRHTR2AHTR7HTR3A
Lithium SCHEMBL31260768 0.73 NCF1 (0.67) HTR1ATSHRHTR2AHTR7HTR3A
SCHEMBL7491687 0.73 NCF1 (0.67) HTR1ATSHRHTR2AHTR7HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030496-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2011-10-04 US disclosed
US-7897783-B2 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative CHUGAI SEIYAKU KABUSHIKI KAISHA 2010-06-17 US disclosed
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-11-27 US disclosed
EP-1857456-A1 PROCESS FOR PRODUCING COMPOUND WITH ANTI-HCV POTENCY AND INTERMEDIATE FOR USE THEREIN CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-21 EP 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-20100152457-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS HTR1A 3708/4885TSHR 4662/4885HTR2A 4042/4885
US-20080293950-A1 Production Process of Compound Having Anti-Hcv Action and Intermediate Thereof HCCS, EIF2AK2, MAVS HTR1A 3569/4885TSHR 4447/4885HTR2A 3942/4885
US-20100152456-A1 Intermediate compound for synthesis of viridiofungin a derivative ZC3HAV1, ZC3HAV1L, MAVS HTR1A 3708/4885TSHR 4662/4885HTR2A 4042/4885

“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.