SCHEMBL7215799

SCHEMBL7215799

Clc1ccccc1Cn1cnc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.67
CYP11B2 P19099 6/20 0.67
TNF P01375 3/20 0.65
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 2/20 0.64
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
BRD4 O60885 2/20 0.54
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.51
NOD2 Q9HC29 1/20 0.51
NOD1 Q9Y239 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL22345608 0.89 CYP11B1 (0.61) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL4142913 0.88 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL30826274 0.88 CYP11B1 (0.77) CYP11B1CYP11B2TNFHTTSMN1; SMN2
Bromide SCHEMBL31253900 0.86 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL31253891 0.86 CYP11B1 (0.75) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL16756287 0.84 CYP11B1 (0.66) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL20715687 0.84 CYP11B1 (0.66) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL7436465 0.82 CYP11B1 (0.55) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL20550865 0.81 CYP11B1 (0.69) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL13907295 0.80 CYP11B1 (0.89) CYP11B1CYP11B2TNFHTTSMN1; SMN2

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
EP-1097618-B1 POST-TREATMENT FOR COPPER ON PRINTED CIRCUIT BOARDS FRYS METALS INC DBA ALPHA METALS INC (US) 2003-03-26 EP claimed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
US-9865952-B2 Plug contact with organic coating and printed circuit board arrangement CONTINENTAL AUTOMOTIVE GMBH (DE) 2018-01-09 US disclosed
US-20170179628-A1 PLUG CONTACT WITH ORGANIC COATING AND PRINTED CIRCUIT BOARD ARRANGEMENT CONTINENTAL AUTOMOTIVE GMBH (DE) 2017-06-22 US disclosed
CN-101489553-A Combinations of monoamine reuptake inhibitors and potassium channel activators NEUROSEARCH AS (DK) 2009-07-22 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 (2 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CYP11B1 35/4885CYP11B2 65/4885TNF 4521/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CYP11B1 35/4885CYP11B2 65/4885TNF 4521/4885

“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.