SCHEMBL7676006

SCHEMBL7676006

Clc1ccc(-c2nc(-c3ccc(CBr)cc3)cs2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.69
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
LMNA P02545 4/20 0.69
NPC1 O15118 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
CYP19A1 P11511 2/20 0.56
ATP4A P20648 1/20 0.53
ATP4B P51164 1/20 0.53
GFER P55789 1/20 0.53
SREBF2 Q12772 2/20 0.52
MAPT P10636 3/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AR P10275 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL11466217 0.88 KDM4E (0.86) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL7534286 0.84 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL7534771 0.84 KDM4E (0.69) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL28493960 0.83 SMN1; SMN2 (0.73) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL202654 0.81 MEN1 (0.60) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL4281217 0.81 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL4283884 0.81 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL11455457 0.81 RAB9A (0.75) KDM4ERAB9ASMN1; SMN2LMNANPC1
SCHEMBL7533239 0.80 MAPT (0.69) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11569375 0.80 KDM4E (0.63) KDM4ERAB9ASMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 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 (3 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 KDM4E 4127/4885RAB9A 4242/4885SMN1; SMN2 4644/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 KDM4E 3274/4885RAB9A 3881/4885SMN1; SMN2 4712/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 KDM4E 3629/4885RAB9A 4224/4885SMN1; SMN2 4264/4885

“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.