SCHEMBL4046307

SCHEMBL4046307

O=C(CBr)c1ccc(CCCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.59
PTPN1 P18031 6/20 0.55
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 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
SCHEMBL2153706 0.80 L3MBTL1 (0.62) GSK3BPTPN1THRATHRBL3MBTL1
SCHEMBL9520211 0.80 THRB (0.54) THRATHRBL3MBTL1ALDH1A1POLB
SCHEMBL205280 0.80 GSK3B (0.80) GSK3BPTPN1RAB9A
SCHEMBL10594828 0.79 CNR2 (0.46) THRATHRBALDH1A1MAPT
SCHEMBL6816324 0.79 GSK3B (0.64) GSK3BPTPN1
SCHEMBL9237039 0.79 GSK3B (0.64) GSK3BPTPN1THRATHRBALDH1A1
SCHEMBL8773680 0.78 FFAR1 (0.57) GSK3BPTPN1L3MBTL1
SCHEMBL8611695 0.78 CYP4A11 (0.56) GSK3BPTPN1THRATHRBRAB9A
SCHEMBL7605422 0.77 GSK3B (0.53) GSK3BPTPN1THRATHRB
SCHEMBL13131233 0.77 GSK3B (0.64) GSK3BPTPN1THRATHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103478-A1 PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-27 WO disclosed
US-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-20020002193-A1 Thiadiazole antifungal agents YU DINGWEI TIM (US) 2002-01-03 US disclosed
US-6281217-B2 ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. YU DINGWEI TIM (US) 2001-08-28 US disclosed
US-6277873-B1 CONTROLLING DRUG RESISTANT FUNGI YU DINGWEI TIM (US) 2001-08-21 US disclosed
US-20010000512-A1 Novel class of piperazino substituted thiazoles YU DINGWEI TIM (US) 2001-04-26 US disclosed
US-20010000177-A1 Novel class of thiomorpholino substituted thiazoles YU DINGWEI TIM (US) 2001-04-05 US disclosed
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES YU DINGWEI TIM (US) 2001-04-05 US disclosed
US-6156776-A Diaryl substituted thiazoles useful in the treatment of fungal infections YU DINGWEI TIM (US) 2000-12-05 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 (4 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-20010000177-A1 Novel class of thiomorpholino substituted thiazoles THUMPD1, ERG28, THOC2 GSK3B 3907/4885PTPN1 2299/4885THRA 1145/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC GSK3B 2559/4885PTPN1 3814/4885THRA 2617/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 GSK3B 3464/4885PTPN1 3591/4885THRA 2901/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 GSK3B 2247/4885PTPN1 1950/4885THRA 2873/4885

“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.