SCHEMBL4131768

SCHEMBL4131768

O=S(=O)(Cl)CCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HRH1 P35367 2/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
Hydrochloric Acid SCHEMBL477290 0.98 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL4184428 0.81 HRH1 (0.57) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL1272587 0.81 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL497367 0.81 LMNA (0.60) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL1272589 0.81 LMNA (0.60) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL1457801 0.80 L3MBTL1 (0.47) ALDH1A1NPC1RAB9AHRH1LMNA
Potassium SCHEMBL4063307 0.79 HRH1 (0.55) ALDH1A1NPC1RAB9AHRH1LMNA
Potassium Ion SCHEMBL9065490 0.79 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL4063300 0.79 HRH1 (0.55) ALDH1A1NPC1RAB9AHRH1LMNA
SCHEMBL10875431 0.79 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AHRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
EP-3601216-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2020-02-05 EP disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
WO-2018172852-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2018-09-27 WO disclosed
EP-3266786-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2018-01-10 EP disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2016-08-04 US disclosed
WO-2000032570-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-08 WO disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 340/4885NPC1 223/4885RAB9A 1728/4885
US-20160222020-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 ALDH1A1 340/4885NPC1 223/4885RAB9A 1728/4885

“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.