SCHEMBL2978723

SCHEMBL2978723

CN(C)CCCN(C)CCC[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
DNM1 Q05193 3/20 0.38
CHRM2 P08172 1/20 0.36
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.30
S1PR2 O95136 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL3427084 0.89 CA12 (0.61) ALDH1A1TSHRCA12CA2CA3
SCHEMBL8367 0.88
SCHEMBL18173575 0.85 TSHR (0.60) ALDH1A1TSHRCA12CA2CA3
SCHEMBL272639 0.85 TSHR (0.60) ALDH1A1TSHRCA12CA2CA3
SCHEMBL10230058 0.82 ALDH1A1 (0.67) ALDH1A1TSHRCA12CA2CA3
SCHEMBL11506600 0.82 CA12 (0.67) ALDH1A1TSHRCA12CA2CA3
Ammonia Solution, Strong SCHEMBL18173536 0.82 TSHR (0.56) ALDH1A1TSHRCA12CA2CA3
SCHEMBL18231533 0.79 CA12 (0.73) ALDH1A1TSHRCA12CA2CA3
SCHEMBL4594931 0.79 ALDH1A1 (0.62) ALDH1A1TSHRCA12CA2CA3
SCHEMBL9016151 0.79 CA12 (0.73) ALDH1A1TSHRCA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7442704-B2 Amide derivatives ASTRAZENECA AB (SE) 2008-10-28 US disclosed
US-7332483-B2 3-(5-benzamido-2-chlorophenyl)-7-methoxy-3,4-dihydroquinazolin-4-one;cytokines (tumor necrosis factor and interleukins) inhibitor; antiinflammatory agent, rheumatoid arthritis, osteoarthritis, psoriasis, chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20060281734-A1 Amide derivatives BROWN DEARG S 2006-12-14 US disclosed
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US disclosed
US-7008945-B1 Amide derivatives ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
US-6784174-B1 INHIBITORS OF THE PRODUCTION OF CYTOKINES SUCH AS TNF ASTRAZENECA AB (SE) 2004-08-31 US disclosed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 ALDH1A1 293/4885TSHR 621/4885CA12 2635/4885
US-20060281734-A1 Amide derivatives IL6, IL6ST, IL1B ALDH1A1 269/4885TSHR 1411/4885CA12 800/4885

“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.