SCHEMBL974918

SCHEMBL974918

O=C(CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.49
KIF11 P52732 12/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A1 P30531 1/20 0.43
SLC6A11 P48066 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 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
Ammonia Solution, Strong SCHEMBL7894551 0.98 SIRT2 (0.48) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL5965491 0.93 SIRT2 (0.44) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL29032265 0.93 SIRT2 (0.43) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL18175275 0.92 SIRT2 (0.43) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL21765843 0.92 RAB9A (0.51) SIRT2HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL13555716 0.92 KIF11 (0.44) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL13555842 0.92 SIRT2 (0.45) SIRT2KIF11HPGDSLC6A1SLC6A11
SCHEMBL19645877 0.90 TAAR1 (0.53) KIF11HPGDRAB9ASMN1; SMN2ALDH1A1
Hexanoate SCHEMBL8076130 0.87 HPGD (0.41) SIRT2KIF11HPGD
SCHEMBL17245967 0.85 KIF11 (0.43) SIRT2KIF11HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180059072-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYSIS OF MN DIAGNOSTIC AND THERAPEUTIC LIGAND AND PRECURSOR INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, Executive Yuan, R.O.C. (TW) 2018-03-01 US claimed
US-9227931-B1 Bifunctional compound and method for manufacturing the same Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2016-01-05 US claimed
US-8329879-B2 H3LMN compound used as radioactive agent for treatment of liver cancer and manufacturing method thereof ATOMIC ENERGY COUNCIL-INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2012-12-11 US claimed
EP-0859641-B1 DOPAMINE TRANSPORTER IMAGING AGENT HARVARD COLLEGE (US) 2012-10-17 EP claimed
US-20110065904-A1 H3LMN COMPOUND USED AS RADIOACTIVE AGENT FOR TREATMENT OF LIVER CANCER AND MANUFACTURING METHOD THEREOF ATOMIC ENERGY COUNCIL-INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2011-03-17 US claimed
EP-1051980-B1 Dopamine transporter imaging agents HARVARD COLLEGE (US) 2010-12-15 EP claimed
US-20090208415-A1 Tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-20 US claimed
US-20070009432-A1 Boat tropanes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-11 US claimed
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP claimed
EP-1518561-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP claimed
US-20030232819-A1 Tropane compounds WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-12-18 US claimed
US-20020131931-A1 Boat tropanes WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-09-19 US claimed
US-6171576-B1 TROPANE COMPOUND IS LINKED THROUGH THE N ATOM AT THE 8-POSITION TO A CHELATING LIGAND CAPABLE OF COMPLEXING TECHNETIUM OR RHENIUM TO PRODUCE A NEUTRAL LABELED COMPLEX THAT SELECTIVELY BINDS TO THE DOPAMINE TRANSPORTER. ORGANIX INC. 2001-01-09 US claimed
EP-1051980-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-15 EP claimed
EP-1046401-A2 Fatty acid derivative labelled with a radioactive transition metal NIHON MEDI-PHYSICS Co., Ltd. (JP) 2000-10-25 EP claimed
CN-116406368-A Conjugated compounds derived from sibs and methods of use thereof 赖利制药公司 2023-07-07 CN disclosed
US-20180059072-A1 HIGH PERFORMANCE LIQUID CHROMATOGRAPHY METHOD FOR ANALYSIS OF MN DIAGNOSTIC AND THERAPEUTIC LIGAND AND PRECURSOR INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, Executive Yuan, R.O.C. (TW) 2018-03-01 US disclosed
EP-0692982-A4 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS DU PONT MERCK PHARMA (US) 1998-03-11 EP disclosed
EP-0692982-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-24 EP disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 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 (5 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-20020131931-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SIRT2 2799/4885KIF11 967/4885HPGD 3255/4885
US-20030232819-A1 Tropane compounds TPM3, TPM4, ADRA2C SIRT2 1841/4885KIF11 1287/4885HPGD 3133/4885
US-20110065904-A1 H3LMN COMPOUND USED AS RADIOACTIVE AGENT FOR TREATMENT OF LIVER CANCER AND MANUFACTURING METHOD THEREOF L3MBTL3, LIPC, L3MBTL4 SIRT2 3263/4885KIF11 1228/4885HPGD 3040/4885
US-20090208415-A1 Tropane compounds TPM3, TPM4, ADRA2C SIRT2 1841/4885KIF11 1287/4885HPGD 3133/4885
US-20070009432-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 SIRT2 2799/4885KIF11 967/4885HPGD 3255/4885

“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.