SCHEMBL17619352

SCHEMBL17619352

CNc1ccc(-c2ccc(CN)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.64
TAAR1 Q96RJ0 4/20 0.54
KIF11 P52732 1/20 0.47
APP P05067 2/20 0.42
CYP2A6 P11509 1/20 0.42
LOXL2 Q9Y4K0 3/20 0.42
ADRB2 P07550 1/20 0.42
ABAT P80404 1/20 0.41
LTA4H P09960 1/20 0.41
AKT2 P31751 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
F9 P00740 1/20 0.39
F11 P03951 1/20 0.39
F7 P08709 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2290799 0.93 HRH3 (0.50) HRH3TAAR1APPLOXL2ABAT
Hydrochloric Acid SCHEMBL28318930 0.91 HRH3 (0.48) HRH3TAAR1APPLOXL2ABAT
Magnesium Chloride Anhydrous SCHEMBL28044650 0.84 HRH3 (0.42) HRH3TAAR1APPLOXL2ABAT
SCHEMBL28073008 0.83 HRH3 (0.41) HRH3TAAR1APPLOXL2ABAT
SCHEMBL12973295 0.81 APP (0.57) APP
SCHEMBL2274647 0.80 HRH3 (1.00) HRH3TAAR1CYP2A6LOXL2ADRB2
SCHEMBL5147226 0.80 KIF11 (0.64) KIF11APPCA12CA1CA2
SCHEMBL18664826 0.79 UCHL1 (0.53) TAAR1KIF11APPTSHR
SCHEMBL17615519 0.77 HRH3 (0.56) HRH3TAAR1CYP2A6LOXL2ADRB2
SCHEMBL20058030 0.76 PLK1 (0.46) HRH3KIF11APPCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11656503-B2 Sealing material composition, liquid crystal cell and scanning antenna SHARP KABUSHIKI KAISHA (JP) 2023-05-23 US disclosed
US-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-10-26 US disclosed
US-9676771-B2 Compounds for inhibiting drug-resistant strains of HIV-1 integrase THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-06-13 US disclosed
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE The United States of American, as represented by the Sec, Dept. of Health and Human Services (US) 2016-03-24 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 (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-20170305904-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 HRH3 30/4885TAAR1 1653/4885KIF11 3997/4885
US-20160083382-A1 COMPOUNDS FOR INHIBITING DRUG-RESISTANT STRAINS OF HIV-1 INTEGRASE CCR8, CDK8, CHD8 HRH3 30/4885TAAR1 1653/4885KIF11 3997/4885

“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.