SCHEMBL4015829

SCHEMBL4015829

Clc1cc(Cl)c2cc(Br)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.64
HTT P42858 1/20 0.53
RXFP1 Q9HBX9 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
DHODH Q02127 3/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 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
SCHEMBL31218411 1.00 NT5E (0.64) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL29531805 0.84 NT5E (0.46) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL7699263 0.84 NT5E (0.46) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL23412886 0.81 NT5E (0.60) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL4966407 0.81 LMNA (0.68) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL1223950 0.81 CYP2C19 (0.62) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL29799170 0.79 LMNA (0.46) NT5EHTTCYP2C19CYP2C9GAA
SCHEMBL2535170 0.79 LMNA (0.46) NT5EHTTCYP2C19CYP2C9GAA
SCHEMBL5558246 0.78 NT5E (1.00) NT5EHTTRXFP1CYP2C19CYP1A2
SCHEMBL11826367 0.78 MAPT (0.58) NT5EHTTRXFP1KMT2AGAA

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12384789-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
EP-3634953-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-01-03 EP disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
US-RE49481-E1 Compounds for the treatment and prophylaxis of respiratory syncytial virus disease HOFFMANN-LA ROCHE INC. (US) 2023-04-04 US disclosed
EP-4151627-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-03-22 EP disclosed
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2022-08-11 US disclosed
US-11407753-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2022-08-09 US disclosed
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2020-05-28 US disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN disclosed
EP-3634953-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2020-04-15 EP disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE HOFFMANN-LA ROCHE INC. 2013-08-01 US disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
WO-2013020993-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-14 WO disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 WO disclosed
WO-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO 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 (6 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 NT5E 1539/4885HTT 1878/4885RXFP1 4178/4885
US-20130196974-A1 COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS DISEASE CFTR, H1-10, RECQL NT5E 4191/4885HTT 2336/4885RXFP1 21/4885
US-20220251098-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH NT5E 3288/4885HTT 1/4885RXFP1 4256/4885
US-20200165256-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH NT5E 3288/4885HTT 1/4885RXFP1 4256/4885
US-11407753-B2 Compounds for treating Huntington's disease HTT, HYPK, FH NT5E 3288/4885HTT 1/4885RXFP1 4256/4885
US-12384789-B2 Compounds for treating Huntington's disease HTT, HYPK, FH NT5E 3288/4885HTT 1/4885RXFP1 4256/4885

“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.