SCHEMBL6857007

SCHEMBL6857007

NNCCOC(COCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
NPC1 O15118 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL28643037 0.81 TACR1 (0.56) TACR1TSHRCA1CA2CA7
SCHEMBL15701190 0.77 TSHR (0.56) TACR1SMN1; SMN2HTTTSHRNPC1
SCHEMBL1521021 0.76 TACR1 (0.59) TACR1TSHRCA1CA2CA7
Hydrochloric Acid SCHEMBL11129793 0.76 TSHR (0.54) TACR1SMN1; SMN2HTTTSHRNPC1
Hydrochloric Acid SCHEMBL14686335 0.74 TACR1 (0.57) TACR1TSHRCA1CA2CA7
SCHEMBL11129540 0.71 TSHR (0.52) SMN1; SMN2HTTTSHRNPC1KDM1A
SCHEMBL16321476 0.70 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL4988525 0.70 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL18580091 0.70 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL13401110 0.69 TSHR (0.50) SMN1; SMN2HTTTSHRNPC1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1960999-A Process for preparing indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 2007-05-09 CN disclosed
CN-1185247-C Process for producing indolopyrrolocarbazole derivative, intermediate for the production, and process for producing the intermediate BANYU PHARMA CO LTD (JP) 2005-01-19 CN disclosed
US-6790836-B2 Process for preparing indolopyrrolocarbazole derivatives, intermediates therefor, and preparation process of the intermediates BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
US-20030060621-A1 Process for preparing indolopyrrolocarbazole derivatives, intermediates therefor, and preparation process of the intermediates BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
CN-1400976-A Process for producing indolopyrrolocarbazole derivative, intermediate for the production, and process for producing the intermediate BANYU PHARMA CO LTD (JP) 2003-03-05 CN 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-20030060621-A1 Process for preparing indolopyrrolocarbazole derivatives, intermediates therefor, and preparation process of the intermediates WEE1, CYP4B1, CYP3A4 TACR1 3971/4885SMN1; SMN2 4816/4885HTT 2218/4885

“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.