SCHEMBL6875843

SCHEMBL6875843

Nc1ccc(C2=CC=CC(Cl)C2=S)c(N)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6872297 0.82 GLA (0.32) GLAPOLBGAATSHR
SCHEMBL6871971 0.81 CASP1 (0.33) GLAPOLBGAATSHR
Hydrochloric Acid SCHEMBL6870949 0.79 CASP1 (0.32) GLAPOLBGAATSHR
SCHEMBL6871872 0.75 TDP1 (0.38) TSHR
SCHEMBL6870786 0.69 CASP1 (0.34)
Hydrochloric Acid SCHEMBL6864680 0.68 CASP1 (0.33)
SCHEMBL21372 0.65 CASP1 (0.52) GLAPOLBGAATSHR
SCHEMBL5983366 0.65 CASP1 (0.52) GLAPOLBGAATSHR
SCHEMBL6873989 0.65 ALDH1A1 (0.32) POLBTSHR
SCHEMBL6873733 0.63 KDM4E (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6811573-B2 HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES WELLA AKTIENGESELLSCHAFT (DE) 2004-11-02 US disclosed
US-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-05-22 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-20030093867-A1 Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives KRT18, DSP, TUBB4B GLA 463/4885POLB 706/4885GAA 3846/4885

“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.